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1

3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 273727-50-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD09817468 InChI Key: YUNJEYQSCYYAEF-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde PubChem CID: 18545510 IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C1=CC(C=O)=CC=C1

PubChem CID 18545510
CAS 273727-50-7
Molecular Weight (g/mol) 188.19
MDL Number MFCD09817468
SMILES CC1=NOC(=N1)C1=CC(C=O)=CC=C1
Synonym 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde
IUPAC Name 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI Key YUNJEYQSCYYAEF-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
2

1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone, 97%, Thermo Scientific™

CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1

PubChem CID 7060546
CAS 1131-87-9
Molecular Weight (g/mol) 255.13
MDL Number MFCD07368508
SMILES BrCC(=O)C1=CC=C2SC=CC2=C1
Synonym 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one
IUPAC Name 1-(1-benzothiophen-5-yl)-2-bromoethanone
InChI Key NTQPGUCRHJHYIA-UHFFFAOYSA-N
Molecular Formula C10H7BrOS
3

2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one, Tech., Thermo Scientific™

CAS: 383-53-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD00126489 InChI Key: HEMROKPXTCOASZ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone PubChem CID: 321979 IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)CBr

PubChem CID 321979
CAS 383-53-9
Molecular Weight (g/mol) 267.05
MDL Number MFCD00126489
SMILES FC(F)(F)C1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone
IUPAC Name 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
InChI Key HEMROKPXTCOASZ-UHFFFAOYSA-N
Molecular Formula C9H6BrF3O
4

3,4-Dihydro-2H-1,5-benzodioxepin-6-ylmethylamine hydrochloride, 97%, Thermo Scientific™

CAS: 499770-91-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD04972615 InChI Key: ZXJOKQNPRXXPJT-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethylamine,3,4-dihydro-2h-benzo b 1,4 dioxepin-6-yl methanamine,1-3,4-dihydro-2h-1,5-benzodioxepin-6-yl methanamine,2h-1,5-benzodioxepin-6-methanamine,3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-6-yl methanamine,vxu PubChem CID: 2794995 SMILES: NCC1=C2OCCCOC2=CC=C1

PubChem CID 2794995
CAS 499770-91-1
Molecular Weight (g/mol) 179.22
MDL Number MFCD04972615
SMILES NCC1=C2OCCCOC2=CC=C1
Synonym 3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethylamine,3,4-dihydro-2h-benzo b 1,4 dioxepin-6-yl methanamine,1-3,4-dihydro-2h-1,5-benzodioxepin-6-yl methanamine,2h-1,5-benzodioxepin-6-methanamine,3,4-dihydro,3,4-dihydro-2h-1,5-benzodioxepin-6-yl methanamine,vxu
InChI Key ZXJOKQNPRXXPJT-UHFFFAOYSA-N
Molecular Formula C10H13NO2
5

1-Methylindoline-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 60082-02-2 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD03208513 InChI Key: OZQGVTARHLDSTI-UHFFFAOYSA-N Synonym: 1-methylindoline-5-carbaldehyde,1-methyl-2,3-dihydro-1h-indole-5-carbaldehyde,1-methylindoline-5-carboxaldehyde,1-methyl-5-indolinecarbaldehyde,1-methyl-5-formylindoline,5-formyl-1-methylindoline,1-methyl-5-indolinecarbaldehyde #,2,3-dihydro-1-methyl-1h-indole-5-carboxaldehyde,1h-indole-5-carboxaldehyde, 2,3-dihydro-1-methyl PubChem CID: 595181 IUPAC Name: 1-methyl-2,3-dihydroindole-5-carbaldehyde SMILES: CN1CCC2=C1C=CC(=C2)C=O

PubChem CID 595181
CAS 60082-02-2
Molecular Weight (g/mol) 161.204
MDL Number MFCD03208513
SMILES CN1CCC2=C1C=CC(=C2)C=O
Synonym 1-methylindoline-5-carbaldehyde,1-methyl-2,3-dihydro-1h-indole-5-carbaldehyde,1-methylindoline-5-carboxaldehyde,1-methyl-5-indolinecarbaldehyde,1-methyl-5-formylindoline,5-formyl-1-methylindoline,1-methyl-5-indolinecarbaldehyde #,2,3-dihydro-1-methyl-1h-indole-5-carboxaldehyde,1h-indole-5-carboxaldehyde, 2,3-dihydro-1-methyl
IUPAC Name 1-methyl-2,3-dihydroindole-5-carbaldehyde
InChI Key OZQGVTARHLDSTI-UHFFFAOYSA-N
Molecular Formula C10H11NO
6

(1-methyl-3-phenyl-1h-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 864068-97-3 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271942 InChI Key: GRHZYDGKXPVLEH-UHFFFAOYSA-N Synonym: 1-methyl-3-phenyl-1h-pyrazol-5-yl methanol,2-methyl-5-phenylpyrazol-3-yl methanol,1h-pyrazole-5-methanol,1-methyl-3-phenyl,5-hydroxymethyl-1-methyl-3-phenyl-1h-pyrazole,1-methyl-3-phenylpyrazol-5-yl methan-1-ol PubChem CID: 7537632 IUPAC Name: (2-methyl-5-phenylpyrazol-3-yl)methanol SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)CO

PubChem CID 7537632
CAS 864068-97-3
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271942
SMILES CN1C(=CC(=N1)C2=CC=CC=C2)CO
Synonym 1-methyl-3-phenyl-1h-pyrazol-5-yl methanol,2-methyl-5-phenylpyrazol-3-yl methanol,1h-pyrazole-5-methanol,1-methyl-3-phenyl,5-hydroxymethyl-1-methyl-3-phenyl-1h-pyrazole,1-methyl-3-phenylpyrazol-5-yl methan-1-ol
IUPAC Name (2-methyl-5-phenylpyrazol-3-yl)methanol
InChI Key GRHZYDGKXPVLEH-UHFFFAOYSA-N
Molecular Formula C11H12N2O
7

1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 10045-52-0 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.259 MDL Number: MFCD00068112 InChI Key: ZOOGZFPRAKXWKI-UHFFFAOYSA-N Synonym: 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole PubChem CID: 604819 IUPAC Name: 1-(2-phenyl-1,3-thiazol-4-yl)ethanone SMILES: CC(=O)C1=CSC(=N1)C2=CC=CC=C2

PubChem CID 604819
CAS 10045-52-0
Molecular Weight (g/mol) 203.259
MDL Number MFCD00068112
SMILES CC(=O)C1=CSC(=N1)C2=CC=CC=C2
Synonym 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole
IUPAC Name 1-(2-phenyl-1,3-thiazol-4-yl)ethanone
InChI Key ZOOGZFPRAKXWKI-UHFFFAOYSA-N
Molecular Formula C11H9NOS
8

7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™

CAS: 306934-90-7 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD02677706 InChI Key: CIZHAPZOOAJDCN-UHFFFAOYSA-N Synonym: 7-iodo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin,3,4-dihydro-7-iodo PubChem CID: 2776396 IUPAC Name: 7-iodo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)I)OC1

PubChem CID 2776396
CAS 306934-90-7
Molecular Weight (g/mol) 276.073
MDL Number MFCD02677706
SMILES C1COC2=C(C=C(C=C2)I)OC1
Synonym 7-iodo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin,3,4-dihydro-7-iodo
IUPAC Name 7-iodo-3,4-dihydro-2H-1,5-benzodioxepine
InChI Key CIZHAPZOOAJDCN-UHFFFAOYSA-N
Molecular Formula C9H9IO2
9

(2-Phenylpyrimidin-5-yl)methanol, 97%, Thermo Scientific™

CAS: 886531-62-0 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD09817550 InChI Key: DJEBODXMCJKLPH-UHFFFAOYSA-N Synonym: 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol PubChem CID: 21298145 IUPAC Name: (2-phenylpyrimidin-5-yl)methanol SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)CO

PubChem CID 21298145
CAS 886531-62-0
Molecular Weight (g/mol) 186.214
MDL Number MFCD09817550
SMILES C1=CC=C(C=C1)C2=NC=C(C=N2)CO
Synonym 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol
IUPAC Name (2-phenylpyrimidin-5-yl)methanol
InChI Key DJEBODXMCJKLPH-UHFFFAOYSA-N
Molecular Formula C11H10N2O
11

5-Aminoindan-1-one, 97%, Thermo Scientific™

CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N

PubChem CID 312890
CAS 3470-54-0
Molecular Weight (g/mol) 147.177
SMILES C1CC(=O)C2=C1C=C(C=C2)N
Synonym 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one
IUPAC Name 5-amino-2,3-dihydroinden-1-one
InChI Key HODOSJNSRPXYBH-UHFFFAOYSA-N
Molecular Formula C9H9NO
12

1-Methyl-5-phenyl-1H-pyrazole-4-carbaldehyde, Thermo Scientific™

CAS: 154927-01-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: DLMVCAXLQMJYHP-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl PubChem CID: 2795475 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carbaldehyde SMILES: CN1C(=C(C=N1)C=O)C2=CC=CC=C2

PubChem CID 2795475
CAS 154927-01-2
Molecular Weight (g/mol) 186.214
SMILES CN1C(=C(C=N1)C=O)C2=CC=CC=C2
Synonym 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl
IUPAC Name 1-methyl-5-phenylpyrazole-4-carbaldehyde
InChI Key DLMVCAXLQMJYHP-UHFFFAOYSA-N
Molecular Formula C11H10N2O
13

1-(4-Amino-2-hydroxyphenyl)ethan-1-one, Tech., Thermo Scientific™

CAS: 2476-29-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00100636 InChI Key: QQZFVONVJPXCSQ-UHFFFAOYSA-N Synonym: 1-4-amino-2-hydroxyphenyl ethanone,1-4-amino-2-hydroxyphenyl ethan-1-one,4'-amino-2'-hydroxyacetophenone,1-4-amino-2-hydroxyphenyl ethane-1-one,ethanone, 1-4-amino-2-hydroxyphenyl,1-4-amino-2-hydroxy-phenyl ethanone,2-acetyl-5-aminophenol,intermediates-zcf02667,amino-2-hydroxyphenyl ethanone,4-acetyl-3-hydroxyaniline PubChem CID: 459296 IUPAC Name: 1-(4-amino-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(N)C=C1

PubChem CID 459296
CAS 2476-29-1
Molecular Weight (g/mol) 151.17
MDL Number MFCD00100636
SMILES CC(=O)C1=C(O)C=C(N)C=C1
Synonym 1-4-amino-2-hydroxyphenyl ethanone,1-4-amino-2-hydroxyphenyl ethan-1-one,4'-amino-2'-hydroxyacetophenone,1-4-amino-2-hydroxyphenyl ethane-1-one,ethanone, 1-4-amino-2-hydroxyphenyl,1-4-amino-2-hydroxy-phenyl ethanone,2-acetyl-5-aminophenol,intermediates-zcf02667,amino-2-hydroxyphenyl ethanone,4-acetyl-3-hydroxyaniline
IUPAC Name 1-(4-amino-2-hydroxyphenyl)ethanone
InChI Key QQZFVONVJPXCSQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
14

1-Methyl-1H-pyrazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 27258-33-9 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD03419801 InChI Key: RAJRANFZSWDUJZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-5-carbaldehyde,2-methyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-5-carboxaldehyde,5-formyl-1-methylpyrazole,1-methylpyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-methyl,1-methyl-1h-pyrazole-5-carboxaldehyde,pubchem16289,acmc-209gw7 PubChem CID: 7019414 IUPAC Name: 2-methylpyrazole-3-carbaldehyde SMILES: CN1N=CC=C1C=O

PubChem CID 7019414
CAS 27258-33-9
Molecular Weight (g/mol) 110.12
MDL Number MFCD03419801
SMILES CN1N=CC=C1C=O
Synonym 1-methyl-1h-pyrazole-5-carbaldehyde,2-methyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-5-carboxaldehyde,5-formyl-1-methylpyrazole,1-methylpyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-methyl,1-methyl-1h-pyrazole-5-carboxaldehyde,pubchem16289,acmc-209gw7
IUPAC Name 2-methylpyrazole-3-carbaldehyde
InChI Key RAJRANFZSWDUJZ-UHFFFAOYSA-N
Molecular Formula C5H6N2O
15

8-Quinolinecarbaldehyde, Thermo Scientific™

CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2

PubChem CID 170103
CAS 38707-70-9
Molecular Weight (g/mol) 157.172
MDL Number MFCD00805837
SMILES C1=CC2=C(C(=C1)C=O)N=CC=C2
Synonym 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j
IUPAC Name quinoline-8-carbaldehyde
InChI Key OVZQVGZERAFSPI-UHFFFAOYSA-N
Molecular Formula C10H7NO