Chem
J-GLOBAL ID：200907028511335142
Nikkaji number：J1.796.257D
(E)-4-(3-Bromophenyl)-3-butene-2-one
(E)-4-(3-ブロモフェニル)-3-ブテン-2-オン
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： C10H9BrO
Molecular formula furigana： C10-H9-BR-O
Molecular weight： 225.085
InChI：
InChI=1S/C10H9BrO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+
InChI key：
QZOCEEXEFIACMQ-AATRIKPKSA-N
SMILES：
CC(=O)/C=C/c1cccc(Br)c1
Systematic name (3)：
- (E)-4-(3-ブロモフェニル)-3-ブテン-2-オン
- (3E)-4-(3-ブロモフェニル)ブタ-3-エン-2-オン
- (3E)-4-(3-bromophenyl)but-3-en-2-one
- (E)-4-(3-Bromophenyl)-3-butene-2-one
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