Chem
J-GLOBAL ID:200907021736993640
Nikkaji number:J1.702.776J
4-[Hydroxy[(2R)-2-(trifluoromethyl)oxirane-2β-yl]methyl]benzonitrile
4-{ヒドロキシ[(2R)-2-(トリフルオロメチル)オキシラン-2-イル]メチル}ベンゾニトリル
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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:
C11 H8 F3 NO2
Molecular formula furigana:
C11-H8-F3-N-O2
Molecular weight:
243.185
InChI:
InChI=1S/C11H8F3NO2/c12-11(13,14)10(6-17-10)9(16)8-3-1-7(5-15)2-4-8/h1-4,9,16H,6H2/t9?,10-/m1/s1
InChI key:
VOWINDNVYUOZFO-QVDQXJPCSA-N
SMILES:
OC(c1ccc(cc1)C#N)[C@]1(CO1)C(F)(F)F
Systematic name (3):
4-[ヒドロキシ[(2R)-2-(トリフルオロメチル)オキシラン-2β-イル]メチル]ベンゾニトリル
4-{ヒドロキシ[(2R)-2-(トリフルオロメチル)オキシラン-2-イル]メチル}ベンゾニトリル
4-{hydroxy[(2R)-2-(trifluoromethyl)oxiran-2-yl]methyl}benzonitrile
Other name (1):
4-[Hydroxy[(2R)-2-(trifluoromethyl)oxirane-2β-yl]methyl]benzonitrile
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