Molecule ID: 6944

IUPAC Name: 1-methyl-2-nitrobenzene

Description: The molecule is a mononitrotoluene that is toluene carrying a nitro substituent at position 2. It has a role as an environmental contaminant and a carcinogenic agent.

SMILES: Cc1ccccc1[N+](=O)[O-]

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

InChI: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 2.3