Organooxygen compounds
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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 |
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 |
6-Pyrrolidin-1-ylpyridine-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 230618-24-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 MDL Number: MFCD08435859 InChI Key: SZOZYXCTOMKVTL-UHFFFAOYSA-N PubChem CID: 10821162 IUPAC Name: 6-pyrrolidin-1-ylpyridine-2-carbaldehyde SMILES: O=CC1=NC(=CC=C1)N1CCCC1
| PubChem CID | 10821162 |
|---|---|
| CAS | 230618-24-3 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD08435859 |
| SMILES | O=CC1=NC(=CC=C1)N1CCCC1 |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-2-carbaldehyde |
| InChI Key | SZOZYXCTOMKVTL-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
6-Piperidinopyridine-2-carbaldehyde, ≥97%, Thermo Scientific™
CAS: 859850-71-8 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.246 MDL Number: MFCD08543443 InChI Key: CFKVMXWXARUDQI-UHFFFAOYSA-N Synonym: 6-piperidin-1-yl picolinaldehyde,6-piperidinopyridine-2-carbaldehyde,6-piperidin-1-yl pyridine-2-carbaldehyde,2-formyl-6-piperidin-1-yl pyridine,6-piperidylpyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,6-1-piperidinyl,2-pyridinecarboxaldehyde, 6-1-piperidinyl PubChem CID: 18525732 IUPAC Name: 6-piperidin-1-ylpyridine-2-carbaldehyde SMILES: C1CCN(CC1)C2=CC=CC(=N2)C=O
| PubChem CID | 18525732 |
|---|---|
| CAS | 859850-71-8 |
| Molecular Weight (g/mol) | 190.246 |
| MDL Number | MFCD08543443 |
| SMILES | C1CCN(CC1)C2=CC=CC(=N2)C=O |
| Synonym | 6-piperidin-1-yl picolinaldehyde,6-piperidinopyridine-2-carbaldehyde,6-piperidin-1-yl pyridine-2-carbaldehyde,2-formyl-6-piperidin-1-yl pyridine,6-piperidylpyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,6-1-piperidinyl,2-pyridinecarboxaldehyde, 6-1-piperidinyl |
| IUPAC Name | 6-piperidin-1-ylpyridine-2-carbaldehyde |
| InChI Key | CFKVMXWXARUDQI-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O |
2-Quinoxalinecarbaldehyde, 97+%, Thermo Scientific™
CAS: 1593-08-4 Molecular Formula: C9H6N2O Molecular Weight (g/mol): 158.16 MDL Number: MFCD00272280 InChI Key: UJEHWLFUEQHEEZ-UHFFFAOYSA-N Synonym: 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde PubChem CID: 594088 IUPAC Name: quinoxaline-2-carbaldehyde SMILES: O=CC1=CN=C2C=CC=CC2=N1
| PubChem CID | 594088 |
|---|---|
| CAS | 1593-08-4 |
| Molecular Weight (g/mol) | 158.16 |
| MDL Number | MFCD00272280 |
| SMILES | O=CC1=CN=C2C=CC=CC2=N1 |
| Synonym | 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde |
| IUPAC Name | quinoxaline-2-carbaldehyde |
| InChI Key | UJEHWLFUEQHEEZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O |
[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol, 97%, Thermo Scientific™
CAS: 465514-37-8 Molecular Formula: C11H11FN2O Molecular Weight (g/mol): 206.22 MDL Number: MFCD03644148 InChI Key: QJPGMVFNIWHOIY-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl-5-methyl-1h-pyrazol-4-yl methanol,1-4-fluorophenyl-5-methylpyrazol-4-yl methanol,fmq,maybridge3_004281,1-4-fluorophenyl-5-methyl-4-pyrazolyl methanol,1-4-fluorophenyl-5-methyl-pyrazol-4-yl methanol,1-4-fluorophenyl-5-methyl-1h-pyrazole-4-methanol,1-4-fluorophenyl-5-methylpyrazol-4-yl methan-1-ol PubChem CID: 2780717 IUPAC Name: [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanol SMILES: CC1=C(CO)C=NN1C1=CC=C(F)C=C1
| PubChem CID | 2780717 |
|---|---|
| CAS | 465514-37-8 |
| Molecular Weight (g/mol) | 206.22 |
| MDL Number | MFCD03644148 |
| SMILES | CC1=C(CO)C=NN1C1=CC=C(F)C=C1 |
| Synonym | 1-4-fluorophenyl-5-methyl-1h-pyrazol-4-yl methanol,1-4-fluorophenyl-5-methylpyrazol-4-yl methanol,fmq,maybridge3_004281,1-4-fluorophenyl-5-methyl-4-pyrazolyl methanol,1-4-fluorophenyl-5-methyl-pyrazol-4-yl methanol,1-4-fluorophenyl-5-methyl-1h-pyrazole-4-methanol,1-4-fluorophenyl-5-methylpyrazol-4-yl methan-1-ol |
| IUPAC Name | [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanol |
| InChI Key | QJPGMVFNIWHOIY-UHFFFAOYSA-N |
| Molecular Formula | C11H11FN2O |
1-Benzofuran-5-ylmethanol, Thermo Scientific™
CAS: 31823-05-9 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD04115373 InChI Key: XSLXZYDPOMAXTM-UHFFFAOYSA-N Synonym: benzofuran-5-ylmethanol,5-benzofuranmethanol,5-hydroxymethylbenzofuran,pubchem7026,5-hydroxymethyl-benzofuran,5-hydroxymethylbenzo b furan,benzofuran-5-methanol,1-benzofuran-5-yl methanol,1-benzo b furan-5-ylmethanol,benzo b furan-5-ylmethan-1-ol PubChem CID: 2795179 IUPAC Name: 1-benzofuran-5-ylmethanol SMILES: OCC1=CC=C2OC=CC2=C1
| PubChem CID | 2795179 |
|---|---|
| CAS | 31823-05-9 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD04115373 |
| SMILES | OCC1=CC=C2OC=CC2=C1 |
| Synonym | benzofuran-5-ylmethanol,5-benzofuranmethanol,5-hydroxymethylbenzofuran,pubchem7026,5-hydroxymethyl-benzofuran,5-hydroxymethylbenzo b furan,benzofuran-5-methanol,1-benzofuran-5-yl methanol,1-benzo b furan-5-ylmethanol,benzo b furan-5-ylmethan-1-ol |
| IUPAC Name | 1-benzofuran-5-ylmethanol |
| InChI Key | XSLXZYDPOMAXTM-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone, ≥97%, Thermo Scientific™
CAS: 128746-80-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD06659059 InChI Key: QFHKNYPNLSJEQI-UHFFFAOYSA-N PubChem CID: 2795250 IUPAC Name: 2-bromo-1-(4-thiophen-2-ylphenyl)ethanone SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 2795250 |
|---|---|
| CAS | 128746-80-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD06659059 |
| SMILES | C1=CSC(=C1)C2=CC=C(C=C2)C(=O)CBr |
| IUPAC Name | 2-bromo-1-(4-thiophen-2-ylphenyl)ethanone |
| InChI Key | QFHKNYPNLSJEQI-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
5-Amino-1-methyl-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™
CAS: 62564-90-3 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.131 MDL Number: MFCD08690324 InChI Key: NDGIYFSWJGZTRC-UHFFFAOYSA-N Synonym: 5-amino-1-methyl-1h-pyrazole-4-carbaldehyde,5-amino-1-methylpyrazole-4-carboxaldehyde,5-amino-1-methyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 5-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 5-amino-1-methyl-9ci PubChem CID: 12332515 IUPAC Name: 5-amino-1-methylpyrazole-4-carbaldehyde SMILES: CN1C(=C(C=N1)C=O)N
| PubChem CID | 12332515 |
|---|---|
| CAS | 62564-90-3 |
| Molecular Weight (g/mol) | 125.131 |
| MDL Number | MFCD08690324 |
| SMILES | CN1C(=C(C=N1)C=O)N |
| Synonym | 5-amino-1-methyl-1h-pyrazole-4-carbaldehyde,5-amino-1-methylpyrazole-4-carboxaldehyde,5-amino-1-methyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 5-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 5-amino-1-methyl-9ci |
| IUPAC Name | 5-amino-1-methylpyrazole-4-carbaldehyde |
| InChI Key | NDGIYFSWJGZTRC-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
2-Bromo-1-[4-(3-bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 944450-89-9 Molecular Formula: C12H8Br2OS Molecular Weight (g/mol): 360.06 MDL Number: MFCD09879969 InChI Key: YTVAARIMMJZZIE-UHFFFAOYSA-N Synonym: 2-bromo-1-4-3-bromothien-2-yl phenyl ethanone,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethan-1-one,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethanone,4-3-bromothien-2-yl phenacyl bromide,4-4-bromothien-2-yl phenacyl bromide PubChem CID: 24229752 IUPAC Name: 2-bromo-1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: BrCC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1
| PubChem CID | 24229752 |
|---|---|
| CAS | 944450-89-9 |
| Molecular Weight (g/mol) | 360.06 |
| MDL Number | MFCD09879969 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1 |
| Synonym | 2-bromo-1-4-3-bromothien-2-yl phenyl ethanone,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethan-1-one,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethanone,4-3-bromothien-2-yl phenacyl bromide,4-4-bromothien-2-yl phenacyl bromide |
| IUPAC Name | 2-bromo-1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | YTVAARIMMJZZIE-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2OS |
3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid, 90+%, Thermo Scientific™
CAS: 279261-89-1 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.99 MDL Number: MFCD02681910 InChI Key: CSNCBPVLUIFJOS-UHFFFAOYSA-N Synonym: 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-yl boronic acid,3,4-dihydro-2h-1,5-benzodioxepine-7-boronic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-yl boronic acid,boronic acid,b-3,4-dihydro-2h-1,5-benzodioxepin-7-yl,3,4-dihydro-2h-benzo b 1,4 dioxepin-7-ylboronic acid,boronic acid, 3,4-dihydro-2h-1,5-benzodioxepin-7-yl,pubchem7845,acmc-1crzt,3,4-dihydro-2h-1,5-benzodioxepin-7-boronic acid PubChem CID: 2776398 IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid SMILES: OB(O)C1=CC=C2OCCCOC2=C1
| PubChem CID | 2776398 |
|---|---|
| CAS | 279261-89-1 |
| Molecular Weight (g/mol) | 193.99 |
| MDL Number | MFCD02681910 |
| SMILES | OB(O)C1=CC=C2OCCCOC2=C1 |
| Synonym | 3,4-dihydro-2h-benzo b 1,4 dioxepin-7-yl boronic acid,3,4-dihydro-2h-1,5-benzodioxepine-7-boronic acid,3,4-dihydro-2h-1,5-benzodioxepin-7-yl boronic acid,boronic acid,b-3,4-dihydro-2h-1,5-benzodioxepin-7-yl,3,4-dihydro-2h-benzo b 1,4 dioxepin-7-ylboronic acid,boronic acid, 3,4-dihydro-2h-1,5-benzodioxepin-7-yl,pubchem7845,acmc-1crzt,3,4-dihydro-2h-1,5-benzodioxepin-7-boronic acid |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid |
| InChI Key | CSNCBPVLUIFJOS-UHFFFAOYSA-N |
| Molecular Formula | C9H11BO4 |
2-Benzo[b]furan-3-ylethanol, ≥95%, Thermo Scientific™
CAS: 75611-06-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD08271904 InChI Key: QBEGKDXITSPUTE-UHFFFAOYSA-N Synonym: 2-benzofuran-3-yl ethanol,2-benzo b furan-3-ylethanol,2-1-benzofuran-3-yl ethanol,2-1-benzofuran-3-yl ethan-1-ol,2-benzofuran-3-yl ;ethanol,2-benzo b furan-3-yl ethanol,2-benzo b furan-3-ylethan-1-ol PubChem CID: 10953836 IUPAC Name: 2-(1-benzofuran-3-yl)ethanol SMILES: C1=CC=C2C(=C1)C(=CO2)CCO
| PubChem CID | 10953836 |
|---|---|
| CAS | 75611-06-2 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD08271904 |
| SMILES | C1=CC=C2C(=C1)C(=CO2)CCO |
| Synonym | 2-benzofuran-3-yl ethanol,2-benzo b furan-3-ylethanol,2-1-benzofuran-3-yl ethanol,2-1-benzofuran-3-yl ethan-1-ol,2-benzofuran-3-yl ;ethanol,2-benzo b furan-3-yl ethanol,2-benzo b furan-3-ylethan-1-ol |
| IUPAC Name | 2-(1-benzofuran-3-yl)ethanol |
| InChI Key | QBEGKDXITSPUTE-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 852180-60-0 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD07772818 InChI Key: BJICSBRPQDVEHP-UHFFFAOYSA-N Synonym: 4-5-methyl-1,2,4-oxadiazol-3-yl benzaldehyde,benzaldehyde,4-5-methyl-1,2,4-oxadiazol-3-yl PubChem CID: 7164589 IUPAC Name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)C=O
| PubChem CID | 7164589 |
|---|---|
| CAS | 852180-60-0 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD07772818 |
| SMILES | CC1=NC(=NO1)C2=CC=C(C=C2)C=O |
| Synonym | 4-5-methyl-1,2,4-oxadiazol-3-yl benzaldehyde,benzaldehyde,4-5-methyl-1,2,4-oxadiazol-3-yl |
| IUPAC Name | 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde |
| InChI Key | BJICSBRPQDVEHP-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
2-Bromothiophene-3-carbaldehyde, 97%, Thermo Scientific™
CAS: 1860-99-7 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.042 MDL Number: MFCD09025880 InChI Key: MMEGVQIGIBCTHI-UHFFFAOYSA-N PubChem CID: 12245921 IUPAC Name: 2-bromothiophene-3-carbaldehyde SMILES: C1=CSC(=C1C=O)Br
| PubChem CID | 12245921 |
|---|---|
| CAS | 1860-99-7 |
| Molecular Weight (g/mol) | 191.042 |
| MDL Number | MFCD09025880 |
| SMILES | C1=CSC(=C1C=O)Br |
| IUPAC Name | 2-bromothiophene-3-carbaldehyde |
| InChI Key | MMEGVQIGIBCTHI-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrOS |