Organooxygen compounds
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5'-Bromo-2'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 1450-75-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00191850 InChI Key: HQCCNFFIOWYINW-UHFFFAOYSA-N Synonym: 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon PubChem CID: 95991 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
| PubChem CID | 95991 |
|---|---|
| CAS | 1450-75-5 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00191850 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)O |
| Synonym | 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | HQCCNFFIOWYINW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Propargylaldehyde Diethyl Acetal 97.0+%, TCI America™
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CAS: 10160-87-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00009237 InChI Key: RGUXEWWHSQGVRZ-UHFFFAOYSA-N Synonym: 3,3-diethoxy-1-propyne,propargylaldehyde diethyl acetal,3,3-diethoxypropyne,propiolaldehyde diethyl acetal,1-propyne, 3,3-diethoxy,3,3-diethoxy-propyne,propynal diethyl acetal,1,1-diethoxyprop-2-yne,1-propyne,3,3-diethoxy,propargyl aldehyde diethylacetal PubChem CID: 66285 IUPAC Name: 3,3-diethoxyprop-1-yne SMILES: CCOC(OCC)C#C
| PubChem CID | 66285 |
|---|---|
| CAS | 10160-87-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00009237 |
| SMILES | CCOC(OCC)C#C |
| Synonym | 3,3-diethoxy-1-propyne,propargylaldehyde diethyl acetal,3,3-diethoxypropyne,propiolaldehyde diethyl acetal,1-propyne, 3,3-diethoxy,3,3-diethoxy-propyne,propynal diethyl acetal,1,1-diethoxyprop-2-yne,1-propyne,3,3-diethoxy,propargyl aldehyde diethylacetal |
| IUPAC Name | 3,3-diethoxyprop-1-yne |
| InChI Key | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Tridecanol (mixture of isomers), TCI America™
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CAS: 26248-42-0 Molecular Formula: C13H28O Molecular Weight (g/mol): 200.37 MDL Number: MFCD00004756 InChI Key: XFRVVPUIAFSTFO-UHFFFAOYSA-N Synonym: Tridecyl Alcohol PubChem CID: 8207 ChEBI: CHEBI:34123 IUPAC Name: tridecan-1-ol SMILES: CCCCCCCCCCCCCO
| PubChem CID | 8207 |
|---|---|
| CAS | 26248-42-0 |
| Molecular Weight (g/mol) | 200.37 |
| ChEBI | CHEBI:34123 |
| MDL Number | MFCD00004756 |
| SMILES | CCCCCCCCCCCCCO |
| Synonym | Tridecyl Alcohol |
| IUPAC Name | tridecan-1-ol |
| InChI Key | XFRVVPUIAFSTFO-UHFFFAOYSA-N |
| Molecular Formula | C13H28O |
2-Acetyl-3-ethylpyrazine 98.0+%, TCI America™
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CAS: 32974-92-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00038028 InChI Key: PPJSYGVFDJEMRP-UHFFFAOYSA-N Synonym: 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine PubChem CID: 61918 IUPAC Name: 1-(3-ethylpyrazin-2-yl)ethanone SMILES: CCC1=NC=CN=C1C(=O)C
| PubChem CID | 61918 |
|---|---|
| CAS | 32974-92-8 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00038028 |
| SMILES | CCC1=NC=CN=C1C(=O)C |
| Synonym | 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine |
| IUPAC Name | 1-(3-ethylpyrazin-2-yl)ethanone |
| InChI Key | PPJSYGVFDJEMRP-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
4,4,4-Trifluoro-1-phenyl-1,3-butanedione 98.0+%, TCI America™
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CAS: 326-06-7 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.16 MDL Number: MFCD00000425 InChI Key: VVXLFFIFNVKFBD-UHFFFAOYSA-N Synonym: benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone PubChem CID: 67589 IUPAC Name: 4,4,4-trifluoro-1-phenylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 67589 |
|---|---|
| CAS | 326-06-7 |
| Molecular Weight (g/mol) | 216.16 |
| MDL Number | MFCD00000425 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone |
| IUPAC Name | 4,4,4-trifluoro-1-phenylbutane-1,3-dione |
| InChI Key | VVXLFFIFNVKFBD-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3O2 |
alpha-Thioglycerol 95.0+%, TCI America™
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CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| PubChem CID | 7291 |
|---|---|
| CAS | 96-27-5 |
| Molecular Weight (g/mol) | 108.16 |
| ChEBI | CHEBI:74537 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
3',4',5'-Trimethoxyacetophenone 98.0+%, TCI America™
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CAS: 1136-86-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00008738 InChI Key: VUGQIIQFXCXZJU-UHFFFAOYSA-N Synonym: 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene PubChem CID: 14345 ChEBI: CHEBI:86547 IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC(OC)=C1OC)C(C)=O
| PubChem CID | 14345 |
|---|---|
| CAS | 1136-86-3 |
| Molecular Weight (g/mol) | 210.23 |
| ChEBI | CHEBI:86547 |
| MDL Number | MFCD00008738 |
| SMILES | COC1=CC(=CC(OC)=C1OC)C(C)=O |
| Synonym | 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene |
| IUPAC Name | 1-(3,4,5-trimethoxyphenyl)ethan-1-one |
| InChI Key | VUGQIIQFXCXZJU-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
Ethyl Trifluoropyruvate 98.0+%, TCI America™
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CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
| PubChem CID | 2737239 |
|---|---|
| CAS | 13081-18-0 |
| Molecular Weight (g/mol) | 170.09 |
| MDL Number | MFCD00114935 |
| SMILES | CCOC(=O)C(=O)C(F)(F)F |
| Synonym | ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 |
| IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
| InChI Key | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O3 |
Tetrahydrolinalool 98.0+%, TCI America™
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CAS: 78-69-3 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.285 MDL Number: MFCD00004482 InChI Key: DLHQZZUEERVIGQ-UHFFFAOYSA-N Synonym: tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 PubChem CID: 6548 ChEBI: CHEBI:84242 IUPAC Name: 3,7-dimethyloctan-3-ol SMILES: CCC(C)(CCCC(C)C)O
| PubChem CID | 6548 |
|---|---|
| CAS | 78-69-3 |
| Molecular Weight (g/mol) | 158.285 |
| ChEBI | CHEBI:84242 |
| MDL Number | MFCD00004482 |
| SMILES | CCC(C)(CCCC(C)C)O |
| Synonym | tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 |
| IUPAC Name | 3,7-dimethyloctan-3-ol |
| InChI Key | DLHQZZUEERVIGQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
2,2,2-Trifluoro-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 711-38-6 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00018061 InChI Key: NCJZVRPXSSYDBG-UHFFFAOYSA-N PubChem CID: 136555 IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 136555 |
|---|---|
| CAS | 711-38-6 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00018061 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone |
| InChI Key | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
Methyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
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CAS: 6125-57-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00729087,MFCD20441962,MFCD20441963 InChI Key: HYDYVXROZHFTGB-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester PubChem CID: 87117 IUPAC Name: methyl 4-hydroxycyclohexane-1-carboxylate SMILES: COC(=O)C1CCC(O)CC1
| PubChem CID | 87117 |
|---|---|
| CAS | 6125-57-1 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00729087,MFCD20441962,MFCD20441963 |
| SMILES | COC(=O)C1CCC(O)CC1 |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | HYDYVXROZHFTGB-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Polyethylene Glycol Monostearate (n=approx. 45) (palmitate and stearate mixture), TCI America™
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
6-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
trans-1,4-Cyclohexanediol 97.0+%, TCI America™
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CAS: 6995-79-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00063612 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: trans-1,4-Dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: C1CC(CCC1O)O
| PubChem CID | 11162 |
|---|---|
| CAS | 6995-79-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00063612 |
| SMILES | C1CC(CCC1O)O |
| Synonym | trans-1,4-Dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
4'-Chloro-3'-nitroacetophenone 98.0+%, TCI America™
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CAS: 5465-65-6 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00007083 InChI Key: YEVPHFIFGUWSMG-UHFFFAOYSA-N Synonym: 4'-chloro-3'-nitroacetophenone,1-4-chloro-3-nitrophenyl ethanone,4-chloro-3-nitroacetophenone,ethanone, 1-4-chloro-3-nitrophenyl,1-4-chloro-3-nitrophenyl ethan-1-one,unii-gkv85f2zxl,acetophenone, 4'-chloro-3'-nitro,gkv85f2zxl,4-chloro-3'-nitroacetophenone,3'-nitro-4'-chloro acetophenone PubChem CID: 79596 IUPAC Name: 1-(4-chloro-3-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
| PubChem CID | 79596 |
|---|---|
| CAS | 5465-65-6 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00007083 |
| SMILES | CC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O |
| Synonym | 4'-chloro-3'-nitroacetophenone,1-4-chloro-3-nitrophenyl ethanone,4-chloro-3-nitroacetophenone,ethanone, 1-4-chloro-3-nitrophenyl,1-4-chloro-3-nitrophenyl ethan-1-one,unii-gkv85f2zxl,acetophenone, 4'-chloro-3'-nitro,gkv85f2zxl,4-chloro-3'-nitroacetophenone,3'-nitro-4'-chloro acetophenone |
| IUPAC Name | 1-(4-chloro-3-nitrophenyl)ethan-1-one |
| InChI Key | YEVPHFIFGUWSMG-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |