Chem
J-GLOBAL ID：200907068511384072   Nikkaji number：J1.796.266C

3-[(E)-3-Oxo-4,4,4-trifluoro-1-butenyl]benzonitrile

3-[(E)-3-オキソ-4,4,4-トリフルオロ-1-ブテニル]ベンゾニトリル
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： C11H6F3NO
Molecular formula furigana： C11-H6-F3-N-O
Molecular weight： 225.170
InChI： InChI=1S/C11H6F3NO/c12-11(13,14)10(16)5-4-8-2-1-3-9(6-8)7-15/h1-6H/b5-4+
InChI key： ZEZRYTQCLJZJSI-SNAWJCMRSA-N
SMILES： FC(F)(F)C(=O)/C=C/c1cccc(c1)C#N
Systematic name  (3)：
  • 3-[(E)-3-オキソ-4,4,4-トリフルオロ-1-ブテニル]ベンゾニトリル
  • 3-[(1E)-4,4,4-トリフルオロ-3-オキソブタ-1-エン-1-イル]ベンゾニトリル
  • 3-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]benzonitrile
Other name (1)：
  • 3-[(E)-3-Oxo-4,4,4-trifluoro-1-butenyl]benzonitrile
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