Chem
J-GLOBAL ID：200907075994084720   Nikkaji number：J1.109.143A

3-Methyl-4-bromobenzoic acid methyl ester

3-メチル-4-ブロモ安息香酸メチル
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： C9H9BrO2
Molecular formula furigana： C9-H9-BR-O2
Molecular weight： 229.073
InChI： InChI=1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChI key： GTZTYNPAPQKIIR-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(Br)c(C)c1
Systematic name  (4)：
  • 3-メチル-4-ブロモ安息香酸メチル
  • 4-ブロモ-3-メチル安息香酸メチル
  • メチル 4-ブロモ-3-メチルベンゾアート
  • methyl 4-bromo-3-methylbenzoate
Other name (2)：
  • 3-Methyl-4-bromobenzoic acid methyl ester
  • 4-Bromo-3-methylbenzoic acid methyl ester
CAS registry number： 148547-19-7
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