Molecule ID: 18541395

IUPAC Name: 2-nitro-1-[2-(trifluoromethoxy)phenyl]ethanone

Description: The molecule is ethanone substituted at C-1 by a (2-trifluoromethoxyphenyl group and at C-2 by a nitro group. It is a C-nitro compound and an organofluorine compound.

SMILES: O=C(C[N+](=O)[O-])c1ccccc1OC(F)(F)F

SELFIES: [O][=C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F]

InChI: InChI=1S/C9H6F3NO4/c10-9(11,12)17-8-4-2-1-3-6(8)7(14)5-13(15)16/h1-4H,5H2

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 2.8