Chem
J-GLOBAL ID：201107018425087074   Nikkaji number：J2.982.105D

3-Oxo-4-(trifluoromethyl)-1,3-dihydroisobenzofuran-1-acetonitrile

3-オキソ-4-(トリフルオロメチル)-1,3-ジヒドロイソベンゾフラン-1-アセトニトリル
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： C11H6F3NO2
Molecular formula furigana： C11-H6-F3-N-O2
Molecular weight： 241.169
InChI： InChI=1S/C11H6F3NO2/c12-11(13,14)7-3-1-2-6-8(4-5-15)17-10(16)9(6)7/h1-3,8H,4H2
InChI key： KIEXSFHUSQTGPG-UHFFFAOYSA-N
SMILES： FC(F)(F)c1cccc2C(CC#N)OC(=O)c12
Systematic name  (4)：
  • 3-オキソ-4-(トリフルオロメチル)-1,3-ジヒドロイソベンゾフラン-1-アセトニトリル
  • (3-オキソ-4-トリフルオロメチル-1,3-ジヒドロイソベンゾフラン-1-イル)アセトニトリル
  • 2-[3-オキソ-4-(トリフルオロメチル)-1,3-ジヒドロ-2-ベンゾフラン-1-イル]アセトニトリル
  • 2-[3-oxo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetonitrile
Other name (2)：
  • 3-Oxo-4-(trifluoromethyl)-1,3-dihydroisobenzofuran-1-acetonitrile
  • (3-Oxo-4-trifluoromethyl-1,3-dihydroisobenzofuran-1-yl)acetonitrile
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