Molecular properties
- Formula
- C7H5NO4
- Molar mass
- 167.12 g·mol−1
- Exact mass
- 167.0219 Da
- 6
- PubChem CID
- 6108
Molecule record
4-nitrobenzoic acid
C7H5NO4
167.12 g/mol
Loading structure
Functional groups
Aromatic ring
Carboxylic acid
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Carboxy-4-nitrobenzene
- 200-526-2
- 4-Nitro-benzoic acid
- 4-Nitrobenzoicacid
- 4-Nitrodracylic acid
- 62-23-7
- Benzoic acid, 4-nitro-
- Benzoic acid, p-nitro-
Show all 24 synonyms
- CAS-62-23-7
- CHEBI:262350
- CHEMBL101263
- DTXCID90966
- DTXSID3020966
- G83NWR61OW
- Kyselina p-nitrobenzoova
- MFCD00007352
- NSC-7707
- Nitrodracylic acid
- RefChem:100048
- p-Nitrobenzenecarboxylic acid
- p-Nitrobenzoic acid
- p-Nitrodracylic acid
- p-nitro benzoic acid
- para-nitrobenzoic acid
Structure identifiers
- Canonical SMILES
- O=C(O)c1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
- InChI
- InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
- InChIKey
- OTLNPYWUJOZPPA-UHFFFAOYSA-N
- PubChem CID
- 6108
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-nitrobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nitrobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.