Molecule ID: 4419940

IUPAC Name: 4-nitrobenzoate

Description: The molecule is a member of the class of benzoates resulting from the deprotonation of the carboxy group of 4-nitrobenzoic acid. It derives from a benzoate. It is a conjugate base of a 4-nitrobenzoic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 2.5