Molecule ID: 7048

IUPAC Name: 1-methoxy-2-nitrobenzene

Description: The molecule is a member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. It has a role as a carcinogenic agent.

SMILES: COc1ccccc1[N+](=O)[O-]

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

InChI: InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

Molecular Properties:
- Polar Surface Area: 55.0 Ų
- LogP: 1.7