Chem
J-GLOBAL ID：201107075602134278
Nikkaji number：J2.936.139H
4-(1H-Pyrrole-2-ylmethyl)benzonitrile
4-(1H-ピロール-2-イルメチル)ベンゾニトリル
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： C12H10N2
Molecular formula furigana： C12-H10-N2
Molecular weight： 182.226
InChI：
InChI=1S/C12H10N2/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h1-7,14H,8H2
InChI key：
BVWPUGUMROZHJZ-UHFFFAOYSA-N
SMILES：
N#Cc1ccc(Cc2ccc[nH]2)cc1
Systematic name (3)：
- 4-(1H-ピロール-2-イルメチル)ベンゾニトリル
- 4-[(1H-ピロール-2-イル)メチル]ベンゾニトリル
- 4-[(1H-pyrrol-2-yl)methyl]benzonitrile
- 4-(1H-Pyrrole-2-ylmethyl)benzonitrile
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