Molecule ID: 6108

IUPAC Name: 4-nitrobenzoic acid

Description: The molecule is a nitrobenzoic acid having the nitro group at the 4-position. It derives from a benzoic acid. It is a conjugate acid of a 4-nitrobenzoate.

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

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

InChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 1.9