Chem
J-GLOBAL ID：200907050154616591
Nikkaji number：J2.125.149F
3-Bromoazulene-1-carboxylic acid methyl ester
3-ブロモアズレン-1-カルボン酸メチル
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： C12H9BrO2
Molecular formula furigana： C12-H9-BR-O2
Molecular weight： 265.106
InChI：
InChI=1S/C12H9BrO2/c1-15-12(14)10-7-11(13)9-6-4-2-3-5-8(9)10/h2-7H,1H3
InChI key：
RBMQCGKCVFCASV-UHFFFAOYSA-N
SMILES：
COC(=O)c1cc(Br)c2cccccc12
Systematic name (3)：
- 3-ブロモアズレン-1-カルボン酸メチル
- メチル 3-ブロモアズレン-1-カルボキシラート
- methyl 3-bromoazulene-1-carboxylate
- 3-Bromoazulene-1-carboxylic acid methyl ester
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