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Molecule record

1-bromo-3-nitrobenzene

C6H4BrNO2

202.01 g/mol

Loading structure

Molecular properties

Formula
C6H4BrNO2
Molar mass
202.01 g·mol−1
Exact mass
200.9425 Da
5
PubChem CID
11457

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-bromo-3-nitro-benzene
  • 1Bromo3nitrobenzene
  • 209-563-9
  • 3-Bromonitrobenzene
  • 3-Nitrobromobenzene
  • 3-bromo-1-nitrobenzene
  • 3Nitrobromobenzene
  • 585-79-5
Show all 24 synonyms
  • AI3-09054
  • Benzene, 1-bromo-3-nitro-
  • Benzene, 1bromo3nitro
  • CCRIS 3114
  • DTXCID0042404
  • DTXSID3060409
  • EINECS 209-563-9
  • InChI=1/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4
  • M-BROMONITROBENZENE
  • MFCD00024298
  • NSC 7084
  • RefChem:562415
  • m-Nitrobromobenzene
  • mBromonitrobenzene
  • mNitrobromobenzene
  • meta-bromonitrobenzene

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc(Br)c1
Isomeric SMILES
C1=CC(=CC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey
FWIROFMBWVMWLB-UHFFFAOYSA-N
PubChem CID
11457

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-bromo-3-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-bromo-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
1-bromo-3-nitrobenzene - Formula, Structure | ChemArche