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Molecule record

1-chloro-2-nitrobenzene

C6H4ClNO2

157.56 g/mol

Loading structure

Molecular properties

Formula
C6H4ClNO2
Molar mass
157.56 g·mol−1
Exact mass
156.9931 Da
5
PubChem CID
6945

Functional groups

Aromatic ring
Aryl halide
Nitro compound

Physical properties

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

Common names and synonyms

  • 1-Chloronitrobenzene
  • 1-Nitro-2-chlorobenzene
  • 2-CNB
  • 2-Chloro-1-nitrobenzene
  • 2-Chloronitrobenzene
  • 2-Nitrochlorobenzene
  • 201-854-9
  • 25167-93-5
Show all 24 synonyms
  • 88-73-3
  • Benzene, 1-chloro-2-nitro-
  • Benzene, chloronitro-
  • CHEBI:34270
  • Chloro-o-nitrobenzene
  • Chloronitrobenzene
  • D1YI9R2K8O
  • DTXCID80280
  • DTXSID0020280
  • NSC-36934
  • Nitrochlorobenzene
  • ONCB
  • RefChem:75364
  • o-Chloronitrobenzene
  • o-Nitrochlorobenzene
  • ortho-chloronitrobenzene

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccccc1Cl
Isomeric SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey
BFCFYVKQTRLZHA-UHFFFAOYSA-N
PubChem CID
6945

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 1-chloro-2-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-chloro-2-nitrobenzene; 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