Molecule ID: 7482

IUPAC Name: 1-(chloromethyl)-4-nitrobenzene

Description: The molecule is a C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. It has a role as a mutagen. It is a C-nitro compound and a member of benzyl chlorides.

SMILES: O=[N+]([O-])c1ccc(CCl)cc1

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2]

InChI: InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 2.5