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Molecule record

2-nitrobenzonitrile

C7H4N2O2

148.12 g/mol

Loading structure

Molecular properties

Formula
C7H4N2O2
Molar mass
148.12 g·mol−1
Exact mass
148.0273 Da
7
PubChem CID
11922

Functional groups

Aromatic ring
Nitrile
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-Cyanonitrobenzene
  • 2-cyano-1-nitrobenzene
  • 2-nitro-benzonitrile
  • 2-nitrobenzenecarbonitrile
  • 2-nitrobenzenenitrile
  • 210-301-0
  • 612-24-8
  • AI3-16688
Show all 24 synonyms
  • AKOS005141851
  • BENZONITRILE, o-NITRO-
  • Benzonitrile, 2-nitro-
  • Benzonitrile, 2-nitro-(9CI)
  • CCRIS 2326
  • DRC6U29FCI
  • DTXCID40132591
  • DTXSID80210100
  • EINECS 210-301-0
  • MFCD00007044
  • NITROBENZONITRILE, 2-
  • NSC 1994
  • Nitrobenzonitrile
  • RefChem:855301
  • o-Cyanonitrobenzene
  • o-Nitrobenzonitrile

Structure identifiers

Canonical SMILES
N#Cc1ccccc1[N+](=O)[O-]
Isomeric SMILES
C1=CC=C(C(=C1)C#N)[N+](=O)[O-]
InChI
InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H
InChIKey
SWBDKCMOLSUXRH-UHFFFAOYSA-N
PubChem CID
11922

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-nitrobenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-nitrobenzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record