
Organooxygen compounds
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2,2,2-Trifluoroacetophenone, 98%
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
PubChem CID | 9905 |
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CAS | 434-45-7 |
Molecular Weight (g/mol) | 174.122 |
MDL Number | MFCD00000420 |
SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
Molecular Formula | C8H5F3O |
2-(2-Naphthoxy)ethanol, 98+%
CAS: 93-20-9 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00016809 InChI Key: BQPBZDSDFCDSAO-UHFFFAOYSA-N Synonym: 2-2-naphthyloxy ethanol,2-2-naphthoxy ethanol,2-naphthalen-2-yloxy ethanol,anavenol,2-2-hydroxyethoxy naphthalene,ethanol, 2-2-naphthalenyloxy,2-2-naphthalenyloxy ethanol,unii-7m7cut7ccu,ethylene glycol mono-2-naphthyl ether,.beta.-naphthoxyethanol PubChem CID: 7131 IUPAC Name: 2-naphthalen-2-yloxyethanol SMILES: C1=CC=C2C=C(C=CC2=C1)OCCO
PubChem CID | 7131 |
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CAS | 93-20-9 |
Molecular Weight (g/mol) | 188.226 |
MDL Number | MFCD00016809 |
SMILES | C1=CC=C2C=C(C=CC2=C1)OCCO |
Synonym | 2-2-naphthyloxy ethanol,2-2-naphthoxy ethanol,2-naphthalen-2-yloxy ethanol,anavenol,2-2-hydroxyethoxy naphthalene,ethanol, 2-2-naphthalenyloxy,2-2-naphthalenyloxy ethanol,unii-7m7cut7ccu,ethylene glycol mono-2-naphthyl ether,.beta.-naphthoxyethanol |
IUPAC Name | 2-naphthalen-2-yloxyethanol |
InChI Key | BQPBZDSDFCDSAO-UHFFFAOYSA-N |
Molecular Formula | C12H12O2 |
Diethyl 2-(2-cyanoethyl)malonate, 98+%
CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC
PubChem CID | 87005 |
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CAS | 17216-62-5 |
Molecular Weight (g/mol) | 213.233 |
MDL Number | MFCD00001966 |
SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
IUPAC Name | diethyl 2-(2-cyanoethyl)propanedioate |
InChI Key | YJJLOESDBPRZIP-UHFFFAOYSA-N |
Molecular Formula | C10H15NO4 |
5-Acetylsalicylic acid, 98+%
CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
PubChem CID | 83151 |
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CAS | 13110-96-8 |
Molecular Weight (g/mol) | 180.159 |
MDL Number | MFCD00013978 |
SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
Molecular Formula | C9H8O4 |
tert-Butyl ethyl malonate, 95%
CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C
PubChem CID | 96345 |
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CAS | 32864-38-3 |
Molecular Weight (g/mol) | 188.223 |
MDL Number | MFCD00009193 |
SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
Synonym | tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate |
IUPAC Name | 3-O-tert-butyl 1-O-ethyl propanedioate |
InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
Molecular Formula | C9H16O4 |
L-Ascorbic acid 6-palmitate, 99%
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
PubChem CID | 54680660 |
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CAS | 137-66-6 |
Molecular Weight (g/mol) | 414.54 |
MDL Number | MFCD00005377 |
SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
Molecular Formula | C22H38O7 |
2-Benzoylthiophene, 98%
CAS: 135-00-2 Molecular Formula: C11H8OS Molecular Weight (g/mol): 188.244 MDL Number: MFCD00022495 InChI Key: DWYFUJJWTRPARQ-UHFFFAOYSA-N Synonym: 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene PubChem CID: 67262 IUPAC Name: phenyl(thiophen-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CS2
PubChem CID | 67262 |
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CAS | 135-00-2 |
Molecular Weight (g/mol) | 188.244 |
MDL Number | MFCD00022495 |
SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CS2 |
Synonym | 2-benzoylthiophene,phenyl thiophen-2-yl methanone,phenyl 2-thienyl ketone,methanone, phenyl-2-thienyl,ketone, phenyl 2-thienyl,phenyl 2-thienyl methanone,2-thienyl phenyl ketone,.alpha.-benzoylthiophene,phenyl-thiophen-2-yl-methanone,2-benzoyl thiophene |
IUPAC Name | phenyl(thiophen-2-yl)methanone |
InChI Key | DWYFUJJWTRPARQ-UHFFFAOYSA-N |
Molecular Formula | C11H8OS |
4'-Chloroacetophenone, 98+%
CAS: 99-91-2 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000624 InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonym: 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene PubChem CID: 7467 ChEBI: CHEBI:27538 IUPAC Name: 1-(4-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C=C1
PubChem CID | 7467 |
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CAS | 99-91-2 |
Molecular Weight (g/mol) | 154.59 |
ChEBI | CHEBI:27538 |
MDL Number | MFCD00000624 |
SMILES | CC(=O)C1=CC=C(Cl)C=C1 |
Synonym | 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene |
IUPAC Name | 1-(4-chlorophenyl)ethanone |
InChI Key | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO |
2',5'-Dihydroxyacetophenone, 98+%
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 |
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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 |
3'-(Trifluoromethyl)acetophenone, 98+%
CAS: 349-76-8 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000391 InChI Key: ABXGMGUHGLQMAW-UHFFFAOYSA-N Synonym: 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone PubChem CID: 67682 IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)C(F)(F)F
PubChem CID | 67682 |
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CAS | 349-76-8 |
Molecular Weight (g/mol) | 188.149 |
MDL Number | MFCD00000391 |
SMILES | CC(=O)C1=CC(=CC=C1)C(F)(F)F |
Synonym | 3'-trifluoromethyl acetophenone,3-trifluoromethyl acetophenone,3-trifluoromethylacetophenone,ethanone, 1-3-trifluoromethyl phenyl,1-3-trifluoromethyl phenyl ethanone,m-trifluoromethylacetophenone,3'-trifluoromethylacetophenone,1-3-trifluoromethyl phenyl ethan-1-one,1-3-trifluoromethyl-phenyl-ethanone |
IUPAC Name | 1-[3-(trifluoromethyl)phenyl]ethanone |
InChI Key | ABXGMGUHGLQMAW-UHFFFAOYSA-N |
Molecular Formula | C9H7F3O |
3-Chloropropiophenone, 96%
CAS: 936-59-4 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00000990 InChI Key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N Synonym: 3-chloropropiophenone,1-propanone, 3-chloro-1-phenyl,beta-chloropropiophenone,2-chloroethyl phenyl ketone,3-chloropropanophenone,3-chloro-1-phenyl-1-propanone,propiophenone, 3-chloro,3-chloro-1-phenyl-propan-1-one,.beta.-chloropropiophenone,.omega.-chloropropiophenone PubChem CID: 70295 IUPAC Name: 3-chloro-1-phenylpropan-1-one SMILES: C1=CC=C(C=C1)C(=O)CCCl
PubChem CID | 70295 |
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CAS | 936-59-4 |
Molecular Weight (g/mol) | 168.62 |
MDL Number | MFCD00000990 |
SMILES | C1=CC=C(C=C1)C(=O)CCCl |
Synonym | 3-chloropropiophenone,1-propanone, 3-chloro-1-phenyl,beta-chloropropiophenone,2-chloroethyl phenyl ketone,3-chloropropanophenone,3-chloro-1-phenyl-1-propanone,propiophenone, 3-chloro,3-chloro-1-phenyl-propan-1-one,.beta.-chloropropiophenone,.omega.-chloropropiophenone |
IUPAC Name | 3-chloro-1-phenylpropan-1-one |
InChI Key | KTJRGPZVSKWRTJ-UHFFFAOYSA-N |
Molecular Formula | C9H9ClO |
2,4-Dichlorobenzaldehyde, 98%
CAS: 874-42-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003305 InChI Key: YSFBEAASFUWWHU-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 PubChem CID: 13404 IUPAC Name: 2,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
PubChem CID | 13404 |
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CAS | 874-42-0 |
Molecular Weight (g/mol) | 175.008 |
MDL Number | MFCD00003305 |
SMILES | C1=CC(=C(C=C1Cl)Cl)C=O |
Synonym | benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 |
IUPAC Name | 2,4-dichlorobenzaldehyde |
InChI Key | YSFBEAASFUWWHU-UHFFFAOYSA-N |
Molecular Formula | C7H4Cl2O |
3'-Chloropropiophenone, 98%
CAS: 34841-35-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00009925 InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N Synonym: 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone PubChem CID: 587128 IUPAC Name: 1-(3-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Cl
PubChem CID | 587128 |
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CAS | 34841-35-5 |
Molecular Weight (g/mol) | 168.62 |
MDL Number | MFCD00009925 |
SMILES | CCC(=O)C1=CC(=CC=C1)Cl |
Synonym | 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone |
IUPAC Name | 1-(3-chlorophenyl)propan-1-one |
InChI Key | PQWGFUFROKIJBO-UHFFFAOYSA-N |
Molecular Formula | C9H9ClO |
3'-Hydroxyacetophenone, 98%
CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O
PubChem CID | 8487 |
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CAS | 121-71-1 |
Molecular Weight (g/mol) | 136.15 |
MDL Number | MFCD00002298 |
SMILES | CC(=O)C1=CC(=CC=C1)O |
Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
2',3'-Dichloroacetophenone, 98%
CAS: 56041-57-7 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00052988 InChI Key: KMABBMYSEVZARZ-UHFFFAOYSA-N Synonym: 1-2,3-dichlorophenyl ethanone,2',3'-dichloroacetophenone,2,3-dichloroacetophenone,1-2,3-dichlorophenyl ethan-1-one,ethanone, 1-2,3-dichlorophenyl,1-acetyl-2,3-dichlorobenzene,pubchem3368,1-2,3-dichlorophenyl-1-ethanone,1-2,3-bis chloranyl phenyl ethanone PubChem CID: 91986 IUPAC Name: 1-(2,3-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC(Cl)=C1Cl
PubChem CID | 91986 |
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CAS | 56041-57-7 |
Molecular Weight (g/mol) | 189.04 |
MDL Number | MFCD00052988 |
SMILES | CC(=O)C1=CC=CC(Cl)=C1Cl |
Synonym | 1-2,3-dichlorophenyl ethanone,2',3'-dichloroacetophenone,2,3-dichloroacetophenone,1-2,3-dichlorophenyl ethan-1-one,ethanone, 1-2,3-dichlorophenyl,1-acetyl-2,3-dichlorobenzene,pubchem3368,1-2,3-dichlorophenyl-1-ethanone,1-2,3-bis chloranyl phenyl ethanone |
IUPAC Name | 1-(2,3-dichlorophenyl)ethanone |
InChI Key | KMABBMYSEVZARZ-UHFFFAOYSA-N |
Molecular Formula | C8H6Cl2O |