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Hydroxybenzoic Acid Derivatives

Organic compounds that are directly derived from hydroxybenzoic acid; hydroxybenzoic acid consists of benzoic acid with a hydroxyl group substitution.
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1

Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C8H7IO2 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate

PubChem CID 69273
CAS 619-44-3
MDL Number MFCD00016353
Synonym methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate
IUPAC Name methyl 4-iodobenzoate
InChI Key DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular Formula C8H7IO2
2

5-Methylsalicylic acid, 98%

CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

PubChem CID 6973
CAS 89-56-5
Molecular Weight (g/mol) 152.149
MDL Number MFCD00002461
SMILES CC1=CC(=C(C=C1)O)C(=O)O
Synonym 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid
IUPAC Name 2-hydroxy-5-methylbenzoic acid
InChI Key DLGBEGBHXSAQOC-UHFFFAOYSA-N
Molecular Formula C8H8O3
5

4-Fluoro-3-[methoxy(methyl)carbamoyl]benzeneboronic acid, 98%, Alfa Aesar™

CAS: 874290-69-4 Molecular Formula: C9H11BFNO4 Molecular Weight (g/mol): 226.998 MDL Number: MFCD08235106 InChI Key: WNDRABQWMCWUIO-UHFFFAOYSA-N Synonym: 4-fluoro-3-n-methoxy-n-methyl carbamoyl benzeneboronic acid,4-fluoro-3-methoxy methyl carbamoyl phenyl boronic acid,4-fluoro-3-n-methoxy-n-methyl carbamoyl phenylboronic acid,4-fluoro-3-methoxy methyl carbamoyl phenylboronic acid,4-fluoro-3-methoxy methyl carbamoyl benzeneboronic acid,n-methoxy-n-methyl 5-borono-2-fluorobenzamide,n-methoxy-n-methyl-5-borono-2-fluorobenzamide PubChem CID: 44717596 IUPAC Name: [4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)F)C(=O)N(C)OC)(O)O

PubChem CID 44717596
CAS 874290-69-4
Molecular Weight (g/mol) 226.998
MDL Number MFCD08235106
SMILES B(C1=CC(=C(C=C1)F)C(=O)N(C)OC)(O)O
Synonym 4-fluoro-3-n-methoxy-n-methyl carbamoyl benzeneboronic acid,4-fluoro-3-methoxy methyl carbamoyl phenyl boronic acid,4-fluoro-3-n-methoxy-n-methyl carbamoyl phenylboronic acid,4-fluoro-3-methoxy methyl carbamoyl phenylboronic acid,4-fluoro-3-methoxy methyl carbamoyl benzeneboronic acid,n-methoxy-n-methyl 5-borono-2-fluorobenzamide,n-methoxy-n-methyl-5-borono-2-fluorobenzamide
IUPAC Name [4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
InChI Key WNDRABQWMCWUIO-UHFFFAOYSA-N
Molecular Formula C9H11BFNO4
6

Alfa Aesar™ 4-Fluoro-3-(methoxycarbamoyl)benzeneboronic acid, 98%

CAS: 913835-47-9 Molecular Formula: C8H9BFNO4 Molecular Weight (g/mol): 212.971 MDL Number: MFCD08235105 InChI Key: OJNRHYRWHLOKBF-UHFFFAOYSA-N Synonym: n-methoxy 5-borono-2-fluorobenzamide,4-fluoro-3-methoxycarbamoyl phenyl boronic acid,4-fluoro-3-methoxyamino carbonyl benzeneboronic acid,4-fluoro-3-methoxycarbamoyl phenylboronic acid,acmc-209r9d,4-fluoro-3-methoxycarbamoyl phenyl boronicacid,4-fluoranyl-3-methoxycarbamoyl phenyl boronic acid,4-fluoro-3-methoxyamino-oxomethyl phenyl boronic acid PubChem CID: 44717602 IUPAC Name: [4-fluoro-3-(methoxycarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)F)C(=O)NOC)(O)O

PubChem CID 44717602
CAS 913835-47-9
Molecular Weight (g/mol) 212.971
MDL Number MFCD08235105
SMILES B(C1=CC(=C(C=C1)F)C(=O)NOC)(O)O
Synonym n-methoxy 5-borono-2-fluorobenzamide,4-fluoro-3-methoxycarbamoyl phenyl boronic acid,4-fluoro-3-methoxyamino carbonyl benzeneboronic acid,4-fluoro-3-methoxycarbamoyl phenylboronic acid,acmc-209r9d,4-fluoro-3-methoxycarbamoyl phenyl boronicacid,4-fluoranyl-3-methoxycarbamoyl phenyl boronic acid,4-fluoro-3-methoxyamino-oxomethyl phenyl boronic acid
IUPAC Name [4-fluoro-3-(methoxycarbamoyl)phenyl]boronic acid
InChI Key OJNRHYRWHLOKBF-UHFFFAOYSA-N
Molecular Formula C8H9BFNO4
7

Alfa Aesar™ 2-Bromo-4,5-difluorobenzoic acid, 97%

CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O

PubChem CID 2782789
CAS 64695-84-7
Molecular Weight (g/mol) 237
MDL Number MFCD04973422
SMILES C1=C(C(=CC(=C1F)F)Br)C(=O)O
IUPAC Name 2-bromo-4,5-difluorobenzoic acid
InChI Key DGCBGBZYTNTZJH-UHFFFAOYSA-N
Molecular Formula C7H3BrF2O2
8

Alfa Aesar™ 3-Fluoro-2-methoxybenzoic acid, 98%

CAS: 106428-05-1 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00973972 InChI Key: MEOOXZGGYVXUSG-UHFFFAOYSA-N Synonym: 3-fluoro-2-methoxybenzoicacid,3-fluoro-2-methoxy-benzoic acid,fluoro-methoxybenzoic acid,acmc-1bo0c,buttpark 20\01-60,benzoic acid,3-fluoro-2-methoxy,3-fluoro-2-methyloxy benzoic acid,benzoic acid, 3-fluoro-2-methoxy PubChem CID: 2737361 IUPAC Name: 3-fluoro-2-methoxybenzoic acid SMILES: COC1=C(C=CC=C1F)C(=O)O

PubChem CID 2737361
CAS 106428-05-1
Molecular Weight (g/mol) 170.139
MDL Number MFCD00973972
SMILES COC1=C(C=CC=C1F)C(=O)O
Synonym 3-fluoro-2-methoxybenzoicacid,3-fluoro-2-methoxy-benzoic acid,fluoro-methoxybenzoic acid,acmc-1bo0c,buttpark 20\01-60,benzoic acid,3-fluoro-2-methoxy,3-fluoro-2-methyloxy benzoic acid,benzoic acid, 3-fluoro-2-methoxy
IUPAC Name 3-fluoro-2-methoxybenzoic acid
InChI Key MEOOXZGGYVXUSG-UHFFFAOYSA-N
Molecular Formula C8H7FO3
9

Alfa Aesar™ 3-Fluoro-4-(methoxycarbamoyl)benzeneboronic acid, 97%

CAS: 913835-58-2 Molecular Formula: C8H9BFNO4 Molecular Weight (g/mol): 212.971 MDL Number: MFCD08436059 InChI Key: RZYYOLUTTNFCAU-UHFFFAOYSA-N Synonym: n-methoxy 4-borono-2-fluorobenzamide,3-fluoro-4-methoxycarbamoyl phenyl boronic acid,3-fluoro-4-methoxycarbamoyl benzeneboronic acid,3-fluoro-4-methoxycarbamoyl phenylboronic acid,acmc-209r9n,3-fluoro-4-methoxycarbamoyl phenyl boronicacid,3-fluoranyl-4-methoxycarbamoyl phenyl boronic acid,3-fluoro-4-methoxyamino-oxomethyl phenyl boronic acid PubChem CID: 44717475 IUPAC Name: [3-fluoro-4-(methoxycarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NOC)F)(O)O

PubChem CID 44717475
CAS 913835-58-2
Molecular Weight (g/mol) 212.971
MDL Number MFCD08436059
SMILES B(C1=CC(=C(C=C1)C(=O)NOC)F)(O)O
Synonym n-methoxy 4-borono-2-fluorobenzamide,3-fluoro-4-methoxycarbamoyl phenyl boronic acid,3-fluoro-4-methoxycarbamoyl benzeneboronic acid,3-fluoro-4-methoxycarbamoyl phenylboronic acid,acmc-209r9n,3-fluoro-4-methoxycarbamoyl phenyl boronicacid,3-fluoranyl-4-methoxycarbamoyl phenyl boronic acid,3-fluoro-4-methoxyamino-oxomethyl phenyl boronic acid
IUPAC Name [3-fluoro-4-(methoxycarbamoyl)phenyl]boronic acid
InChI Key RZYYOLUTTNFCAU-UHFFFAOYSA-N
Molecular Formula C8H9BFNO4
10

Alfa Aesar™ 4-Chlorosalicylic acid, 98%

CAS: 5106-98-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00002449 InChI Key: LWXFCZXRFBUOOR-UHFFFAOYSA-N Synonym: 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid PubChem CID: 78782 IUPAC Name: 4-chloro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1O

PubChem CID 78782
CAS 5106-98-9
Molecular Weight (g/mol) 172.56
MDL Number MFCD00002449
SMILES OC(=O)C1=CC=C(Cl)C=C1O
Synonym 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid
IUPAC Name 4-chloro-2-hydroxybenzoic acid
InChI Key LWXFCZXRFBUOOR-UHFFFAOYSA-N
Molecular Formula C7H5ClO3
11

Alfa Aesar™ 2-Fluoro-5-(isopropylcarbamoyl)benzeneboronic acid, 98%

CAS: 874289-49-3 Molecular Formula: C10H13BFNO3 Molecular Weight (g/mol): 225.03 MDL Number: MFCD08235103 InChI Key: NCRUGKRIPMSQHI-UHFFFAOYSA-N Synonym: 2-fluoro-5-isopropylcarbamoyl phenyl boronic acid,n-isopropyl 3-borono-4-fluorobenzamide,2-fluoro-5-isopropylcarbamoyl benzeneboronic acid,2-fluoro-5-isopropylcarbamoyl phenylboronic acid,acmc-209qmq,3-borono-4-fluoro-n-isopropylbenzamide,3-borono-4-fluoro-n-propan-2-yl benzamide,2-fluoro-5-isopropylcarbamoyl phenyl boronicacid,2-fluoro-5-isopropylcarbamoyl-phenyl boronic acid,2-fluoranyl-5-propan-2-ylcarbamoyl phenyl boronic acid PubChem CID: 44717605 IUPAC Name: [2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid SMILES: CC(C)NC(=O)C1=CC(B(O)O)=C(F)C=C1

PubChem CID 44717605
CAS 874289-49-3
Molecular Weight (g/mol) 225.03
MDL Number MFCD08235103
SMILES CC(C)NC(=O)C1=CC(B(O)O)=C(F)C=C1
Synonym 2-fluoro-5-isopropylcarbamoyl phenyl boronic acid,n-isopropyl 3-borono-4-fluorobenzamide,2-fluoro-5-isopropylcarbamoyl benzeneboronic acid,2-fluoro-5-isopropylcarbamoyl phenylboronic acid,acmc-209qmq,3-borono-4-fluoro-n-isopropylbenzamide,3-borono-4-fluoro-n-propan-2-yl benzamide,2-fluoro-5-isopropylcarbamoyl phenyl boronicacid,2-fluoro-5-isopropylcarbamoyl-phenyl boronic acid,2-fluoranyl-5-propan-2-ylcarbamoyl phenyl boronic acid
IUPAC Name [2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI Key NCRUGKRIPMSQHI-UHFFFAOYSA-N
Molecular Formula C10H13BFNO3
12

Alfa Aesar™ Methyl 2-fluoro-6-methoxybenzoate, 98%

CAS: 178747-79-0 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.166 MDL Number: MFCD03788537 InChI Key: WOKPPDUGASITJX-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxybenzoic acid methyl ester,benzoic acid, 2-fluoro-6-methoxy-, methyl ester,2-fluoro-6-methoxy-benzoic acid methyl ester,benzoic acid,2-fluoro-6-methoxy-, methyl ester PubChem CID: 2779314 IUPAC Name: methyl 2-fluoro-6-methoxybenzoate SMILES: COC1=C(C(=CC=C1)F)C(=O)OC

PubChem CID 2779314
CAS 178747-79-0
Molecular Weight (g/mol) 184.166
MDL Number MFCD03788537
SMILES COC1=C(C(=CC=C1)F)C(=O)OC
Synonym 2-fluoro-6-methoxybenzoic acid methyl ester,benzoic acid, 2-fluoro-6-methoxy-, methyl ester,2-fluoro-6-methoxy-benzoic acid methyl ester,benzoic acid,2-fluoro-6-methoxy-, methyl ester
IUPAC Name methyl 2-fluoro-6-methoxybenzoate
InChI Key WOKPPDUGASITJX-UHFFFAOYSA-N
Molecular Formula C9H9FO3
13

Alfa Aesar™ 4-Fluoro-3-(1-pyrrolidinylcarbonyl)benzeneboronic acid, 98%

CAS: 874219-31-5 Molecular Formula: C11H13BFNO3 Molecular Weight (g/mol): 237.04 MDL Number: MFCD08235050 InChI Key: AOICJNUBSAKHMW-UHFFFAOYSA-N Synonym: 4-fluoro-3-pyrrolidine-1-carbonyl phenylboronic acid,4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronic acid,4-fluoro-3-pyrrolidin-1-ylcarbonyl benzeneboronic acid,4-fluoro-3-pyrrolidin-1-yl carbonyl phenyl boronic acid,acmc-209qkw,5-borono-2-fluorophenyl carbonylpyrrolidine,4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronicacid,4-fluoranyl-3-pyrrolidin-1-ylcarbonyl-phenyl boronic acid PubChem CID: 44717537 IUPAC Name: [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid SMILES: OB(O)C1=CC(C(=O)N2CCCC2)=C(F)C=C1

PubChem CID 44717537
CAS 874219-31-5
Molecular Weight (g/mol) 237.04
MDL Number MFCD08235050
SMILES OB(O)C1=CC(C(=O)N2CCCC2)=C(F)C=C1
Synonym 4-fluoro-3-pyrrolidine-1-carbonyl phenylboronic acid,4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronic acid,4-fluoro-3-pyrrolidin-1-ylcarbonyl benzeneboronic acid,4-fluoro-3-pyrrolidin-1-yl carbonyl phenyl boronic acid,acmc-209qkw,5-borono-2-fluorophenyl carbonylpyrrolidine,4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronicacid,4-fluoranyl-3-pyrrolidin-1-ylcarbonyl-phenyl boronic acid
IUPAC Name [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI Key AOICJNUBSAKHMW-UHFFFAOYSA-N
Molecular Formula C11H13BFNO3
14

Alfa Aesar™ 5-Dimethylcarbamoyl-2-fluorobenzeneboronic acid, 98%

CAS: 874289-46-0 Molecular Formula: C9H11BFNO3 Molecular Weight (g/mol): 210.999 MDL Number: MFCD08235102 InChI Key: BCTHFQUQSOEPDW-UHFFFAOYSA-N Synonym: 5-dimethylcarbamoyl-2-fluorophenyl boronic acid,n,n-dimethyl 3-borono-4-fluorobenzamide,5-dimethylcarbamoyl-2-fluorobenzeneboronic acid,boronic acid,b-5-dimethylamino carbonyl-2-fluorophenyl,5-dimethylcarbamoyl-2-fluorophenylboronic acid,acmc-209qmn,n,n-dimethyl-3-borono-4-fluorobenzamide,5-dimethylcarbamoyl-2-fluoranyl-phenyl boronic acid,5-dimethylamino oxo methyl-2-fluorophenyl boronic acid PubChem CID: 44717599 IUPAC Name: [5-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)N(C)C)F)(O)O

PubChem CID 44717599
CAS 874289-46-0
Molecular Weight (g/mol) 210.999
MDL Number MFCD08235102
SMILES B(C1=C(C=CC(=C1)C(=O)N(C)C)F)(O)O
Synonym 5-dimethylcarbamoyl-2-fluorophenyl boronic acid,n,n-dimethyl 3-borono-4-fluorobenzamide,5-dimethylcarbamoyl-2-fluorobenzeneboronic acid,boronic acid,b-5-dimethylamino carbonyl-2-fluorophenyl,5-dimethylcarbamoyl-2-fluorophenylboronic acid,acmc-209qmn,n,n-dimethyl-3-borono-4-fluorobenzamide,5-dimethylcarbamoyl-2-fluoranyl-phenyl boronic acid,5-dimethylamino oxo methyl-2-fluorophenyl boronic acid
IUPAC Name [5-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid
InChI Key BCTHFQUQSOEPDW-UHFFFAOYSA-N
Molecular Formula C9H11BFNO3
15

Alfa Aesar™ 5-Chloro-2-(ethoxycarbonyl)benzeneboronic acid, 98%

CAS: 871329-55-4 Molecular Formula: C9H10BClO4 Molecular Weight (g/mol): 228.44 MDL Number: MFCD07363744 InChI Key: SGPMCOBGNHZGJJ-UHFFFAOYSA-N Synonym: 5-chloro-2-ethoxycarbonyl phenylboronic acid,5-chloro-2-ethoxycarbonyl phenyl boronic acid,5-chloro-2-ethoxycarbonyl benzeneboronic acid,benzoic acid,2-borono-4-chloro-, 1-ethyl ester 9ci,ethyl 2-borono-4-chlorobenzoate,acmc-209qg0,5-chloro-2-ethoxycarbonylphenyl boronic acid,5-chloranyl-2-ethoxycarbonyl-phenyl boronic acid PubChem CID: 44784921 IUPAC Name: (5-chloro-2-ethoxycarbonylphenyl)boronic acid SMILES: CCOC(=O)C1=C(C=C(Cl)C=C1)B(O)O

PubChem CID 44784921
CAS 871329-55-4
Molecular Weight (g/mol) 228.44
MDL Number MFCD07363744
SMILES CCOC(=O)C1=C(C=C(Cl)C=C1)B(O)O
Synonym 5-chloro-2-ethoxycarbonyl phenylboronic acid,5-chloro-2-ethoxycarbonyl phenyl boronic acid,5-chloro-2-ethoxycarbonyl benzeneboronic acid,benzoic acid,2-borono-4-chloro-, 1-ethyl ester 9ci,ethyl 2-borono-4-chlorobenzoate,acmc-209qg0,5-chloro-2-ethoxycarbonylphenyl boronic acid,5-chloranyl-2-ethoxycarbonyl-phenyl boronic acid
IUPAC Name (5-chloro-2-ethoxycarbonylphenyl)boronic acid
InChI Key SGPMCOBGNHZGJJ-UHFFFAOYSA-N
Molecular Formula C9H10BClO4