2-(1-isocyanatopropan-2-yl)-1,3-bis(trifluoromethyl)benzene

Systemtic Name: 2-(1-isocyanatopropan-2-yl)-1,3-bis(trifluoromethyl)benzene Openeye Name: 2-(2-isocyanato-1-methyl-ethyl)-1,3-bis(trifluoromethyl)benzene CAS Name: 2-(1-isocyanatopropan-2-yl)-1,3-bis(trifluoromethyl)benzene IUPAC Name: 2-(1-isocyanatopropan-2-yl)-1,3-bis(trifluoromethyl)benzene Traditional Name: 2-(2-isocyanato-1-methyl-ethyl)-1,3-bis(trifluoromethyl)benzene Formula: C12H9F6NO MolecularWeight: 297.196379

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=O)C1=C(C=CC=C1C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(CN=C=O)C1=C(C=CC=C1C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6NO/c1-7(5-19-6-20)10-8(11(13,14)15)3-2-4-9(10)12(16,17)18/h2-4,7H,5H2,1H3