Molecule record

2-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
36328

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 2-Nitro-benzofuran
  • 2-Nitrobenzofuran
  • 2-nitrobenzo[b]furan
  • 33094-66-5
  • 4-17-00-00481 (Beilstein Handbook Reference)
  • A12428
  • AKOS006271665
  • AS-75753
Show all 24 synonyms
  • BENZOFURAN, 2-NITRO-
  • BRN 0136254
  • CHEMBL7438
  • CS-0156003
  • DTXCID20109241
  • DTXSID80186750
  • F093117
  • MFCD00459786
  • NSC 170697
  • NSC170697
  • R 5144
  • RefChem:88712
  • SCHEMBL11642576
  • SCHEMBL847484
  • SY116261
  • nitrobenzofuran

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cc2ccccc2o1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H5NO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
RSZMTXPFGDUHSE-UHFFFAOYSA-N
PubChem CID
36328

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-nitro-1-benzofuran; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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.

Open source record