Organooxygen compounds
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3-(4-Fluorobenzoyl)propionic Acid 97.0+%, TCI America™
CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
1-Bromo-3,3-dimethyl-2-butanone 95.0+%, TCI America™
CAS: 5469-26-1 Molecular Formula: C6H11BrO Molecular Weight (g/mol): 179.057 MDL Number: MFCD00000206 InChI Key: SAIRZMWXVJEBMO-UHFFFAOYSA-N Synonym: 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german PubChem CID: 21642 IUPAC Name: 1-bromo-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CBr
| PubChem CID | 21642 |
|---|---|
| CAS | 5469-26-1 |
| Molecular Weight (g/mol) | 179.057 |
| MDL Number | MFCD00000206 |
| SMILES | CC(C)(C)C(=O)CBr |
| Synonym | 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german |
| IUPAC Name | 1-bromo-3,3-dimethylbutan-2-one |
| InChI Key | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO |
2-Chloro-4'-phenylacetophenone 99.0+%, TCI America™
CAS: 635-84-7 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00058937 InChI Key: IQEIGQFNDLINOT-UHFFFAOYSA-N Synonym: 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride PubChem CID: 69463 IUPAC Name: 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one SMILES: ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69463 |
|---|---|
| CAS | 635-84-7 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00058937 |
| SMILES | ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride |
| IUPAC Name | 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one |
| InChI Key | IQEIGQFNDLINOT-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
4'-tert-Butyl-4-chlorobutyrophenone 95.0+%, TCI America™
CAS: 43076-61-5 Molecular Formula: C14H19ClO Molecular Weight (g/mol): 238.755 MDL Number: MFCD00018996 InChI Key: RLKSQLJFGCDUOX-UHFFFAOYSA-N Synonym: 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone PubChem CID: 2723694 IUPAC Name: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
| PubChem CID | 2723694 |
|---|---|
| CAS | 43076-61-5 |
| Molecular Weight (g/mol) | 238.755 |
| MDL Number | MFCD00018996 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl |
| Synonym | 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone |
| IUPAC Name | 1-(4-tert-butylphenyl)-4-chlorobutan-1-one |
| InChI Key | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
| Molecular Formula | C14H19ClO |
3-(Bromoacetyl)pyridine Hydrobromide 98.0+%, TCI America™
CAS: 17694-68-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.95 MDL Number: MFCD00052182 InChI Key: WDTSYONULAZKIE-UHFFFAOYSA-N Synonym: 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide PubChem CID: 2776234 IUPAC Name: hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide SMILES: [H+].[Br-].BrCC(=O)C1=CC=CN=C1
| PubChem CID | 2776234 |
|---|---|
| CAS | 17694-68-7 |
| Molecular Weight (g/mol) | 280.95 |
| MDL Number | MFCD00052182 |
| SMILES | [H+].[Br-].BrCC(=O)C1=CC=CN=C1 |
| Synonym | 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide |
| IUPAC Name | hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide |
| InChI Key | WDTSYONULAZKIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2NO |
4'-Methylacetophenone 95.0+%, TCI America™
CAS: 122-00-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008751 InChI Key: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonym: 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene PubChem CID: 8500 IUPAC Name: 1-(4-methylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C)C=C1
| PubChem CID | 8500 |
|---|---|
| CAS | 122-00-9 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008751 |
| SMILES | CC(=O)C1=CC=C(C)C=C1 |
| Synonym | 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene |
| IUPAC Name | 1-(4-methylphenyl)ethan-1-one |
| InChI Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
1-(2-Mesitylene)-1,3-butanedione 96.0+%, TCI America™
CAS: 6450-57-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00477603 InChI Key: MBZZDUHWYNESIY-UHFFFAOYSA-N Synonym: 1-(2,4,6-Trimethylbenzene)-1,3-butanedione, (2,4,6-Trimethylbenzoyl)acetone PubChem CID: 367102 IUPAC Name: 1-(2,4,6-trimethylphenyl)butane-1,3-dione SMILES: CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C)C
| PubChem CID | 367102 |
|---|---|
| CAS | 6450-57-3 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00477603 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C)C |
| Synonym | 1-(2,4,6-Trimethylbenzene)-1,3-butanedione, (2,4,6-Trimethylbenzoyl)acetone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)butane-1,3-dione |
| InChI Key | MBZZDUHWYNESIY-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
1,5,6,7-Tetrahydro-4H-indol-4-one 99.0+%, TCI America™
CAS: 13754-86-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00075438 InChI Key: KASJZXHXXNEULX-UHFFFAOYSA-N Synonym: 4-Oxo-4,5,6,7-tetrahydroindole PubChem CID: 280229 IUPAC Name: 1,5,6,7-tetrahydroindol-4-one SMILES: C1CC2=C(C=CN2)C(=O)C1
| PubChem CID | 280229 |
|---|---|
| CAS | 13754-86-4 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00075438 |
| SMILES | C1CC2=C(C=CN2)C(=O)C1 |
| Synonym | 4-Oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 1,5,6,7-tetrahydroindol-4-one |
| InChI Key | KASJZXHXXNEULX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2-Benzoylpyrrole 98.0+%, TCI America™
CAS: 7697-46-3 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.199 MDL Number: MFCD00094048 InChI Key: NFGGQMYSOLVBLF-UHFFFAOYSA-N PubChem CID: 24370 IUPAC Name: phenyl(1H-pyrrol-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CN2
| PubChem CID | 24370 |
|---|---|
| CAS | 7697-46-3 |
| Molecular Weight (g/mol) | 171.199 |
| MDL Number | MFCD00094048 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CN2 |
| IUPAC Name | phenyl(1H-pyrrol-2-yl)methanone |
| InChI Key | NFGGQMYSOLVBLF-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO |
5-Methyl-2,3-hexanedione 94.0+%, TCI America™
CAS: 13706-86-0 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00059352 InChI Key: PQCLJXVUAWLNSV-UHFFFAOYSA-N Synonym: Acetylisovaleryl PubChem CID: 26204 IUPAC Name: 5-methylhexane-2,3-dione SMILES: CC(C)CC(=O)C(C)=O
| PubChem CID | 26204 |
|---|---|
| CAS | 13706-86-0 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00059352 |
| SMILES | CC(C)CC(=O)C(C)=O |
| Synonym | Acetylisovaleryl |
| IUPAC Name | 5-methylhexane-2,3-dione |
| InChI Key | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2-(4-Chlorobenzoyl)pyridine 97.0+%, TCI America™
CAS: 6318-51-0 Molecular Formula: C12H8ClNO Molecular Weight (g/mol): 217.65 MDL Number: MFCD02930888 InChI Key: KHXSJSBQIWAIEG-UHFFFAOYSA-N Synonym: 4-Chlorophenyl 2-Pyridyl Ketone PubChem CID: 80594 IUPAC Name: 2-(4-chlorobenzoyl)pyridine SMILES: ClC1=CC=C(C=C1)C(=O)C1=CC=CC=N1
| PubChem CID | 80594 |
|---|---|
| CAS | 6318-51-0 |
| Molecular Weight (g/mol) | 217.65 |
| MDL Number | MFCD02930888 |
| SMILES | ClC1=CC=C(C=C1)C(=O)C1=CC=CC=N1 |
| Synonym | 4-Chlorophenyl 2-Pyridyl Ketone |
| IUPAC Name | 2-(4-chlorobenzoyl)pyridine |
| InChI Key | KHXSJSBQIWAIEG-UHFFFAOYSA-N |
| Molecular Formula | C12H8ClNO |
2',5'-Dihydroxyacetophenone 98.0+%, TCI America™
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Furil 98.0+%, TCI America™
CAS: 492-94-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00003241 InChI Key: SXPUVBFQXJHYNS-UHFFFAOYSA-N Synonym: furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil PubChem CID: 68119 IUPAC Name: 1,2-bis(furan-2-yl)ethane-1,2-dione SMILES: C1=COC(=C1)C(=O)C(=O)C2=CC=CO2
| PubChem CID | 68119 |
|---|---|
| CAS | 492-94-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00003241 |
| SMILES | C1=COC(=C1)C(=O)C(=O)C2=CC=CO2 |
| Synonym | furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil |
| IUPAC Name | 1,2-bis(furan-2-yl)ethane-1,2-dione |
| InChI Key | SXPUVBFQXJHYNS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
2',6'-Difluoroacetophenone 98.0+%, TCI America™
CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 PubChem CID: 83643 IUPAC Name: 1-(2,6-difluorophenyl)ethan-1-one SMILES: CC(=O)C1=C(F)C=CC=C1F
| PubChem CID | 83643 |
|---|---|
| CAS | 13670-99-0 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00000328 |
| SMILES | CC(=O)C1=C(F)C=CC=C1F |
| Synonym | 2',6'-difluoroacetophenone,1-2,6-difluorophenyl ethanone,2,6-difluoroacetophenone,1-2,6-difluorophenyl ethan-1-one,ethanone, 1-2,6-difluorophenyl,acetophenone, 2',6'-difluoro,1-acetyl-2,6-difluorobenzene,fr cf bv1,pubchem4218,intermediates-zcf02054 |
| IUPAC Name | 1-(2,6-difluorophenyl)ethan-1-one |
| InChI Key | VGIIILXIQLXVLC-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
Benzyl 4-Bromophenyl Ketone 97.0+%, TCI America™
CAS: 2001-29-8 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00016331 InChI Key: MOSIKPSTRPODHQ-UHFFFAOYSA-N Synonym: benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj PubChem CID: 519738 IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
| PubChem CID | 519738 |
|---|---|
| CAS | 2001-29-8 |
| Molecular Weight (g/mol) | 275.145 |
| MDL Number | MFCD00016331 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br |
| Synonym | benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj |
| IUPAC Name | 1-(4-bromophenyl)-2-phenylethanone |
| InChI Key | MOSIKPSTRPODHQ-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |