Molecular properties
- Formula
- C6H4ClN3
- Molar mass
- 153.57 g·mol−1
- Exact mass
- 153.0094 Da
- 6
- PubChem CID
- 20096260
Molecule record
2-chlorobenzotriazole
C6H4ClN3
153.57 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
- SCHEMBL2930623
Structure identifiers
- Canonical SMILES
- Cln1nc2ccccc2n1
- Isomeric SMILES
- C1=CC2=NN(N=C2C=C1)Cl
- InChI
- InChI=1S/C6H4ClN3/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H
- InChIKey
- QYBWIXBVMQYFIL-UHFFFAOYSA-N
- PubChem CID
- 20096260
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-chlorobenzotriazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-chlorobenzotriazole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.