Chem
J-GLOBAL ID：200907081119403472   Nikkaji number：J1.059.722F

4-Bromobenzenepropiolic acid methyl ester

4-ブロモベンゼンプロピオル酸メチル
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： C10H7BrO2
Molecular formula furigana： C10-H7-BR-O2
Molecular weight： 239.068
InChI： InChI=1S/C10H7BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,1H3
InChI key： WNFQGEHRFXJKKS-UHFFFAOYSA-N
SMILES： COC(=O)C#Cc1ccc(Br)cc1
Systematic name  (4)：
  • 3-(4-ブロモフェニル)プロピン酸メチル
  • 4-ブロモベンゼンプロピオル酸メチル
  • メチル 3-(4-ブロモフェニル)プロパ-2-イノアート
  • methyl 3-(4-bromophenyl)prop-2-ynoate
Other name (2)：
  • 3-(4-Bromophenyl)propynoic acid methyl ester
  • 4-Bromobenzenepropiolic acid methyl ester
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