Organooxygen compounds
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1-Chloropinacolin 97.0+%, TCI America™
CAS: 13547-70-1 Molecular Formula: C6H11ClO Molecular Weight (g/mol): 134.603 MDL Number: MFCD00035688 InChI Key: ULSAJQMHTGKPIY-UHFFFAOYSA-N Synonym: 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline PubChem CID: 83572 IUPAC Name: 1-chloro-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CCl
| PubChem CID | 83572 |
|---|---|
| CAS | 13547-70-1 |
| Molecular Weight (g/mol) | 134.603 |
| MDL Number | MFCD00035688 |
| SMILES | CC(C)(C)C(=O)CCl |
| Synonym | 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline |
| IUPAC Name | 1-chloro-3,3-dimethylbutan-2-one |
| InChI Key | ULSAJQMHTGKPIY-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO |
2'-Chloro-4'-fluoroacetophenone 97.0+%, TCI America™
CAS: 700-35-6 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00042202 InChI Key: CSEMGLVHVZRXQF-UHFFFAOYSA-N Synonym: 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone PubChem CID: 2736507 IUPAC Name: 1-(2-chloro-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2736507 |
|---|---|
| CAS | 700-35-6 |
| Molecular Weight (g/mol) | 172.583 |
| MDL Number | MFCD00042202 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)ethanone |
| InChI Key | CSEMGLVHVZRXQF-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
2'-Hydroxy-4',6'-dimethoxy-2-(4-methoxyphenyl)acetophenone 98.0+%, TCI America™
CAS: 39604-68-7 Molecular Formula: C17H18O5 Molecular Weight (g/mol): 302.33 MDL Number: MFCD03934798 InChI Key: ROJOJPXRGHLGTC-UHFFFAOYSA-N Synonym: 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone PubChem CID: 689039 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1
| PubChem CID | 689039 |
|---|---|
| CAS | 39604-68-7 |
| Molecular Weight (g/mol) | 302.33 |
| MDL Number | MFCD03934798 |
| SMILES | COC1=CC=C(CC(=O)C2=C(O)C=C(OC)C=C2OC)C=C1 |
| Synonym | 2-Hydroxy-4,6-dimethoxyphenyl 4-Methoxybenzyl Ketone |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethan-1-one |
| InChI Key | ROJOJPXRGHLGTC-UHFFFAOYSA-N |
| Molecular Formula | C17H18O5 |
(S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone 98.0+%, TCI America™
CAS: 189028-93-1 Molecular Formula: C20H18FNO4 Molecular Weight (g/mol): 355.365 MDL Number: MFCD08061377 InChI Key: XXSSRSVXDNUAQX-QGZVFWFLSA-N PubChem CID: 11187377 IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione SMILES: C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
| PubChem CID | 11187377 |
|---|---|
| CAS | 189028-93-1 |
| Molecular Weight (g/mol) | 355.365 |
| MDL Number | MFCD08061377 |
| SMILES | C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 |
| IUPAC Name | 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione |
| InChI Key | XXSSRSVXDNUAQX-QGZVFWFLSA-N |
| Molecular Formula | C20H18FNO4 |
2-Phenylsulfonylacetophenone 98.0+%, TCI America™
CAS: 3406-03-9 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.31 MDL Number: MFCD00025043 InChI Key: DREVPGKOIZVPQV-UHFFFAOYSA-N Synonym: 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one PubChem CID: 76949 IUPAC Name: 2-(benzenesulfonyl)-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 76949 |
|---|---|
| CAS | 3406-03-9 |
| Molecular Weight (g/mol) | 260.31 |
| MDL Number | MFCD00025043 |
| SMILES | C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 |
| Synonym | 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one |
| IUPAC Name | 2-(benzenesulfonyl)-1-phenylethanone |
| InChI Key | DREVPGKOIZVPQV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3S |
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
Anthraflavic Acid 97.0+%, TCI America™
CAS: 84-60-6 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 InChI Key: APAJFZPFBHMFQR-UHFFFAOYSA-N Synonym: 2,6-dihydroxyanthraquinone,anthraflavic acid,anthraflavin,2,6-dihydroxyanthra-9,10-quinone,9,10-anthracenedione, 2,6-dihydroxy,az-f,anthrafravic acid,anthraquinone, 2,6-dihydroxy,2,6-dihydroxy-9,10-anthraquinone,2,6-dihydroxy-anthraquinone PubChem CID: 6776 ChEBI: CHEBI:34250 IUPAC Name: 2,6-dihydroxyanthracene-9,10-dione SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
| PubChem CID | 6776 |
|---|---|
| CAS | 84-60-6 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:34250 |
| SMILES | C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O |
| Synonym | 2,6-dihydroxyanthraquinone,anthraflavic acid,anthraflavin,2,6-dihydroxyanthra-9,10-quinone,9,10-anthracenedione, 2,6-dihydroxy,az-f,anthrafravic acid,anthraquinone, 2,6-dihydroxy,2,6-dihydroxy-9,10-anthraquinone,2,6-dihydroxy-anthraquinone |
| IUPAC Name | 2,6-dihydroxyanthracene-9,10-dione |
| InChI Key | APAJFZPFBHMFQR-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
1-Amino-2-methylanthraquinone 90.0+%, TCI America™
CAS: 82-28-0 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.26 MDL Number: MFCD00001220 InChI Key: ZLCUIOWQYBYEBG-UHFFFAOYSA-N Synonym: Disperse Orange 11 PubChem CID: 6702 ChEBI: CHEBI:82382 IUPAC Name: 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione SMILES: CC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N
| PubChem CID | 6702 |
|---|---|
| CAS | 82-28-0 |
| Molecular Weight (g/mol) | 237.26 |
| ChEBI | CHEBI:82382 |
| MDL Number | MFCD00001220 |
| SMILES | CC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N |
| Synonym | Disperse Orange 11 |
| IUPAC Name | 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | ZLCUIOWQYBYEBG-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
4'-Bromo-2'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=C(O)C=C(Br)C=C1
| PubChem CID | 10727403 |
|---|---|
| CAS | 30186-18-6 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD03428533 |
| SMILES | CC(=O)C1=C(O)C=C(Br)C=C1 |
| Synonym | 1-4-bromo-2-hydroxyphenyl ethanone,4'-bromo-2'-hydroxyacetophenone,4-bromo-2-hydroxyacetophenone,1-4-bromo-2-hydroxyphenyl ethan-1-one,acetophenone,2-hydroxy-4-bromo,ethanone, 1-4-bromo-2-hydroxyphenyl,2-acetyl-5-bromophenol,1-4-bromo-2-hydroxy-phenyl ethanone,1-4-bromo-2-hydroxy-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-2-hydroxyphenyl)ethan-1-one |
| InChI Key | LQCMMXGKEGWUIM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
6-Chloro-4-chromanone 98.0+%, TCI America™
CAS: 37674-72-9 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 InChI Key: LLTDYHFVIVSQPJ-UHFFFAOYSA-N Synonym: 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 PubChem CID: 95273 IUPAC Name: 6-chloro-2,3-dihydrochromen-4-one SMILES: C1COC2=C(C1=O)C=C(C=C2)Cl
| PubChem CID | 95273 |
|---|---|
| CAS | 37674-72-9 |
| Molecular Weight (g/mol) | 182.603 |
| SMILES | C1COC2=C(C1=O)C=C(C=C2)Cl |
| Synonym | 6-chlorochroman-4-one,6-chloro-4-chromanone,4h-1-benzopyran-4-one, 6-chloro-2,3-dihydro,6-chloro chroman-4-one,6-chloro-2,3-dihydro-4h-chromen-4-one,6-chloro-2,3-dihydro-1-benzopyran-4-one,6-chloro-3,4-dihydro-2h-1-benzopyran-4-one,pubchem17931,6-chloro-chroman-4-one,acmc-1acq5 |
| IUPAC Name | 6-chloro-2,3-dihydrochromen-4-one |
| InChI Key | LLTDYHFVIVSQPJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO2 |
2-Bromoanthraquinone 96.0+%, TCI America™
CAS: 572-83-8 Molecular Formula: C14H7BrO2 Molecular Weight (g/mol): 287.112 InChI Key: VTSDGYDTWADUJQ-UHFFFAOYSA-N PubChem CID: 221013 IUPAC Name: 2-bromoanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Br
| PubChem CID | 221013 |
|---|---|
| CAS | 572-83-8 |
| Molecular Weight (g/mol) | 287.112 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Br |
| IUPAC Name | 2-bromoanthracene-9,10-dione |
| InChI Key | VTSDGYDTWADUJQ-UHFFFAOYSA-N |
| Molecular Formula | C14H7BrO2 |
4'-Chloro-2'-nitroacetophenone 98.0+%, TCI America™
CAS: 23082-51-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD09031331 InChI Key: PUUYGMZERWRIDS-UHFFFAOYSA-N PubChem CID: 12643796 IUPAC Name: 1-(4-chloro-2-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O
| PubChem CID | 12643796 |
|---|---|
| CAS | 23082-51-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD09031331 |
| SMILES | CC(=O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O |
| IUPAC Name | 1-(4-chloro-2-nitrophenyl)ethan-1-one |
| InChI Key | PUUYGMZERWRIDS-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
4-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 IUPAC Name: sodium 4-methyl-2-oxopentanoate SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| IUPAC Name | sodium 4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
3-Acetyl-2-(methylaminosulfonyl)thiophene 98.0+%, TCI America™
CAS: 138891-01-7 Molecular Formula: C7H9NO3S2 Molecular Weight (g/mol): 219.273 MDL Number: MFCD00191372 InChI Key: OTWLSKTWKAMLMQ-UHFFFAOYSA-N Synonym: 3-Acetyl-2-thiophene-N-methylsulfonamide PubChem CID: 10632675 IUPAC Name: 3-acetyl-N-methylthiophene-2-sulfonamide SMILES: CC(=O)C1=C(SC=C1)S(=O)(=O)NC
| PubChem CID | 10632675 |
|---|---|
| CAS | 138891-01-7 |
| Molecular Weight (g/mol) | 219.273 |
| MDL Number | MFCD00191372 |
| SMILES | CC(=O)C1=C(SC=C1)S(=O)(=O)NC |
| Synonym | 3-Acetyl-2-thiophene-N-methylsulfonamide |
| IUPAC Name | 3-acetyl-N-methylthiophene-2-sulfonamide |
| InChI Key | OTWLSKTWKAMLMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S2 |
4'-Ethoxyacetophenone 98.0+%, TCI America™
CAS: 1676-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009095 InChI Key: YJFNFQHMQJCPRG-UHFFFAOYSA-N Synonym: 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone PubChem CID: 72872 IUPAC Name: 1-(4-ethoxyphenyl)ethan-1-one SMILES: CCOC1=CC=C(C=C1)C(C)=O
| PubChem CID | 72872 |
|---|---|
| CAS | 1676-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00009095 |
| SMILES | CCOC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone |
| IUPAC Name | 1-(4-ethoxyphenyl)ethan-1-one |
| InChI Key | YJFNFQHMQJCPRG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |