Chem
J-GLOBAL ID：200907024165368963   Nikkaji number：J47.050C

4-Chlorobenzoic acid methyl

4-クロロ安息香酸メチル
Substance type：
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
Molecular formula： C8H7ClO2
Molecular formula furigana： C8-H7-CL-O2
Molecular weight： 170.590
InChI： InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI key： LXNFVVDCCWUUKC-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(Cl)cc1
Systematic name  (4)：
  • 4-クロロ安息香酸メチル
  • p-クロロ安息香酸メチル
  • メチル 4-クロロベンゾアート
  • methyl 4-chlorobenzoate
Other name (3)：
  • 4-Chlorobenzoic acid methyl ester
  • 4-Chlorobenzoic acid methyl
  • p-Chlorobenzoic acid methyl ester
CAS registry number： 1126-46-1
Regulation number (3)：
  • EINECS2144209
  • TSCA(1126-46-1)
  • 4-(7)-2020
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