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Molecule record

4-nitro-1-benzofuran

C8H5NO3

163.13 g/mol

Loading structure

Molecular properties

Formula
C8H5NO3
Molar mass
163.13 g·mol−1
Exact mass
163.0269 Da
7
PubChem CID
13307979

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 4-NItrocumaron
  • 4-nitrobenzofuran
  • 69227-65-2
  • AKOS006328743
  • Benzofuran, 4-nitro-
  • HOPJVUYLPKTWEF-UHFFFAOYSA-N
  • MFCD09834713
  • SCHEMBL16288619
Show all 11 synonyms
  • SCHEMBL18936141
  • SCHEMBL6364597
  • SCHEMBL663238

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc2occc12
Isomeric SMILES
C1=CC(=C2C=COC2=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H5NO3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H
InChIKey
HOPJVUYLPKTWEF-UHFFFAOYSA-N
PubChem CID
13307979

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 4-nitro-1-benzofuran; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1-benzofuran; 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