Chem
J-GLOBAL ID：200907026469817805
Nikkaji number：J2.618.370G
1-(4-Chlorophenyl)-2-methyl-1,3-butanedione
1-(4-クロロフェニル)-2-メチル-1,3-ブタンジオン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C11H11ClO2
Molecular formula furigana： C11-H11-CL-O2
Molecular weight： 210.660
InChI：
InChI=1S/C11H11ClO2/c1-7(8(2)13)11(14)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChI key：
PLRCCWVFPFNUHT-UHFFFAOYSA-N
SMILES：
CC(C(=O)C)C(=O)c1ccc(Cl)cc1
Systematic name (3)：
- 1-(4-クロロフェニル)-2-メチル-1,3-ブタンジオン
- 1-(4-クロロフェニル)-2-メチルブタン-1,3-ジオン
- 1-(4-chlorophenyl)-2-methylbutane-1,3-dione
- 1-(4-Chlorophenyl)-2-methyl-1,3-butanedione
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