Chem
J-GLOBAL ID：200907030387961956
Nikkaji number：J876.375E
3-Bromo-4-methoxybenzoic acid methyl ester
3-ブロモ-4-メトキシ安息香酸メチル
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： C9H9BrO3
Molecular formula furigana： C9-H9-BR-O3
Molecular weight： 245.072
InChI：
InChI=1S/C9H9BrO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChI key：
ZREVPFANJBZHEU-UHFFFAOYSA-N
SMILES：
COC(=O)c1ccc(OC)c(Br)c1
Systematic name (3)：
- 3-ブロモ-4-メトキシ安息香酸メチル
- メチル 3-ブロモ-4-メトキシベンゾアート
- methyl 3-bromo-4-methoxybenzoate
- 3-Bromo-4-methoxybenzoic acid methyl ester
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