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Molecule record

4-nitro-1,3-benzoxazole

C7H4N2O3

164.12 g/mol

Loading structure

Molecular properties

Formula
C7H4N2O3
Molar mass
164.12 g·mol−1
Exact mass
164.0222 Da
7
PubChem CID
1482181

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 163808-13-7
  • 4-Nitrobenzoxazole
  • 4-nitrobenzooxazole
  • 6X-0821
  • AKOS005099245
  • CS-0213301
  • DTXSID201315868
  • F542326
Show all 14 synonyms
  • MFCD00965006
  • RefChem:295066
  • SCHEMBL4335935
  • SCHEMBL636672
  • SLXGGFDKGANNSL-UHFFFAOYSA-N
  • SY018722

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc2ocnc12
Isomeric SMILES
C1=CC(=C2C(=C1)OC=N2)[N+](=O)[O-]
InChI
InChI=1S/C7H4N2O3/c10-9(11)5-2-1-3-6-7(5)8-4-12-6/h1-4H
InChIKey
SLXGGFDKGANNSL-UHFFFAOYSA-N
PubChem CID
1482181

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-1,3-benzoxazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1,3-benzoxazole; 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