Molecule ID: 8458

IUPAC Name: 2-methyl-5-nitrobenzenesulfonic acid

Description: The molecule is the arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4. It is an arenesulfonic acid and a C-nitro compound.

SMILES: Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

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

InChI: InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.9