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Specification
The molecular formula of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is C9H5F4NO.
The molecular weight of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 219.14 g/mol.
The IUPAC name of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 2-fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile.
The InChI code of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is InChI=1S/C9H5F4NO/c10-7-2-1-3-8(6(7)4-14)15-5-9(11,12)13/h1-3H,5H2.
The InChIKey of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is KPUXDDKZMLVAEI-UHFFFAOYSA-N.
The canonical SMILES of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is C1=CC(=C(C(=C1)F)C#N)OCC(F)(F)F.
The CAS number of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 119584-74-6.
The EC number of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 670-576-1.
The DSSTox Substance ID of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is DTXSID60372114.
Yes, 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is canonicalized.