Molecular properties
- Formula
- C6H4BrN3
- Molar mass
- 198.02 g·mol−1
- Exact mass
- 196.9589 Da
- 6
- PubChem CID
- 23330685
Molecule record
2-bromobenzotriazole
C6H4BrN3
198.02 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL11496496
Structure identifiers
- Canonical SMILES
- Brn1nc2ccccc2n1
- Isomeric SMILES
- C1=CC2=NN(N=C2C=C1)Br
- InChI
- InChI=1S/C6H4BrN3/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H
- InChIKey
- CLZDKRKWSRKMIJ-UHFFFAOYSA-N
- PubChem CID
- 23330685
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-bromobenzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-bromobenzotriazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.