Molecular properties
- Formula
- C6H4N4O2
- Molar mass
- 164.12 g·mol−1
- Exact mass
- 164.0334 Da
- 7
- PubChem CID
- 141081726
Molecule record
2-nitrobenzotriazole
C6H4N4O2
164.12 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
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])n1nc2ccccc2n1
- Isomeric SMILES
- C1=CC2=NN(N=C2C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C6H4N4O2/c11-10(12)9-7-5-3-1-2-4-6(5)8-9/h1-4H
- InChIKey
- LGVXHDBFRGGZOZ-UHFFFAOYSA-N
- PubChem CID
- 141081726
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 2-nitrobenzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-nitrobenzotriazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.