Chem
J-GLOBAL ID：200907037324709020   Nikkaji number：J266.743F

3-Methyl-4-bromobenzoic acid

3-メチル-4-ブロモ安息香酸
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： C8H7BrO2
Molecular formula furigana： C8-H7-BR-O2
Molecular weight： 215.046
InChI： InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChI key： KWVXDZLVCISXIB-UHFFFAOYSA-N
SMILES： Cc1cc(ccc1Br)C(=O)O
Systematic name  (3)：
  • 4-ブロモ-3-メチル安息香酸
  • 3-メチル-4-ブロモ安息香酸
  • 4-bromo-3-methylbenzoic acid
Other name (2)：
  • 4-Bromo-3-methylbenzoic acid
  • 3-Methyl-4-bromobenzoic acid
CAS registry number： 7697-28-1
Regulation number (1)：
  • EINECS2317137
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