Chem
J-GLOBAL ID：200907099759151360   Nikkaji number：J47.051A

3-Chlorobenzoic acid methyl

3-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)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI key： XRDRKVPNHIWTBX-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(Cl)c1
Systematic name  (5)：
  • m-クロロ安息香酸メチル
  • 3-クロロ安息香酸メチル
  • 5-クロロ安息香酸メチル
  • メチル 3-クロロベンゾアート
  • methyl 3-chlorobenzoate
Other name (4)：
  • 3-Chlorobenzoic acid methyl ester
  • m-Chlorobenzoic acid methyl ester
  • 5-Chlorobenzoic acid methyl ester
  • 3-Chlorobenzoic acid methyl
CAS registry number： 2905-65-9
Regulation number (3)：
  • EINECS2208141
  • TSCA(2905-65-9)
  • 4-(7)-2153
Thsaurus map：
Thesaurus Map

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