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Molecule record

1-chloro-3-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
8489

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-Chloro-3-nitro-benzene
  • 1-Nitro-3-chlorobenzene
  • 121-73-3
  • 204-496-1
  • 3-Chloro-1-nitrobenzene
  • 3-Chloronitrobenzene
  • 3-Nitrochlorobenzene
  • 8XSA3GF8O1
Show all 24 synonyms
  • BENZENE, 1-CHLORO-3-NITRO-
  • CAS-121-73-3
  • CCRIS 3094
  • CHEBI:82420
  • Chloro-m-nitrobenzene
  • DTXCID401971
  • DTXSID4021971
  • EINECS 204-496-1
  • HSDB 1323
  • MFCD00007202
  • Metachloronitrobenzene
  • NSC-5502
  • RefChem:907548
  • UNII-8XSA3GF8O1
  • m-Chloronitrobenzene
  • m-Nitrochlorobenzene

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc(Cl)c1
Isomeric SMILES
C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey
KMAQZIILEGKYQZ-UHFFFAOYSA-N
PubChem CID
8489

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-3-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-chloro-3-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