2-[2,4,5-tris(fluoranyl)-3-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[2,4,5-tris(fluoranyl)-3-methyl-phenyl]ethanenitrile Openeye Name: 2-(2,4,5-trifluoro-3-methyl-phenyl)acetonitrile CAS Name: 2-(2,4,5-trifluoro-3-methylphenyl)acetonitrile IUPAC Name: 2-(2,4,5-trifluoro-3-methylphenyl)acetonitrile Traditional Name: 2-(2,4,5-trifluoro-3-methyl-phenyl)acetonitrile Formula: C9H6F3N MolecularWeight: 185.14585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1F)F)CC#N)F

Isomeric SMILES

CC1=C(C(=CC(=C1F)F)CC#N)F

InChI

InChI=1S/C9H6F3N/c1-5-8(11)6(2-3-13)4-7(10)9(5)12/h4H,2H2,1H3