Molecular properties
- Formula
- C8H5NO3
- Molar mass
- 163.13 g·mol−1
- Exact mass
- 163.0269 Da
- 7
- PubChem CID
- 12679465
Molecule record
3-nitro-1-benzofuran
C8H5NO3
163.13 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-Nitrobenzofuran
- 75420-78-9
- DTXCID20457451
- DTXSID90506642
- RefChem:281257
- SCHEMBL10842229
- SCHEMBL8081425
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1coc2ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=CO2)[N+](=O)[O-]
- InChI
- InChI=1S/C8H5NO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
- InChIKey
- KWSVKHNOGGEYAO-UHFFFAOYSA-N
- PubChem CID
- 12679465
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-nitro-1-benzofuran; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-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.