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Molecule record

2-nitrobenzoic acid

C7H5NO4

167.12 g/mol

Loading structure

Molecular properties

Formula
C7H5NO4
Molar mass
167.12 g·mol−1
Exact mass
167.0219 Da
6
PubChem CID
11087

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

  • 209-004-9
  • 552-16-9
  • AI3-08821
  • BENZOIC ACID,2-NITRO MFC7 H5 N1 O4
  • Benzoic acid, 2-nitro-
  • Benzoic acid, 2nitro
  • Benzoic acid, onitro
  • CCRIS 2334
Show all 24 synonyms
  • CHEBI:25620
  • DTXCID005738
  • DTXSID5025738
  • EINECS 209-004-9
  • InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10
  • NITROBENZOIC ACID, 2-
  • NSC 9576
  • Nitrobenzoicacid, o
  • RefChem:88713
  • S6S4653K7Z
  • UNII-S6S4653K7Z
  • o-Nitrobenzoic acid
  • oCarboxynitrobenzene
  • oNitrobenzoic acid
  • ortho-nitrobenzoic acid
  • orthonitrobenzoic acid

Structure identifiers

Canonical SMILES
O=C(O)c1ccccc1[N+](=O)[O-]
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey
SLAMLWHELXOEJZ-UHFFFAOYSA-N
PubChem CID
11087

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-nitrobenzoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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.

PubChem(link only)
Open source record