Chem
J-GLOBAL ID：201307043733011932
Nikkaji number：J3.173.620J
3-Methyl-4-(trifluoromethyl)benzonitrile
3-メチル-4-(トリフルオロメチル)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： C9H6F3N
Molecular formula furigana： C9-H6-F3-N
Molecular weight： 185.149
InChI：
InChI=1S/C9H6F3N/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
InChI key：
DNVBDMCLGYHTFD-UHFFFAOYSA-N
SMILES：
Cc1cc(ccc1C(F)(F)F)C#N
Systematic name (2)：
- 3-メチル-4-(トリフルオロメチル)ベンゾニトリル
- 3-methyl-4-(trifluoromethyl)benzonitrile
- 3-Methyl-4-(trifluoromethyl)benzonitrile
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