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Molecule record

3-chlorocinnoline

C8H5ClN2

164.59 g/mol

Loading structure

Molecular properties

Formula
C8H5ClN2
Molar mass
164.59 g·mol−1
Exact mass
164.0141 Da
7
PubChem CID
11194524

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 17404-90-9
  • 865-425-3
  • AC-907/34119033
  • AKOS023250170
  • AS-57286
  • CS-0034707
  • Cinnoline, 3-chloro-
  • DB-064934
Show all 18 synonyms
  • DTXCID10409085
  • DTXSID20458266
  • EN300-206951
  • MFCD01646204
  • REUOCJLVDZPJEK-UHFFFAOYSA-N
  • RefChem:278596
  • SCHEMBL2781561
  • SCHEMBL2899971
  • Z1255399482
  • chlorocinnoline

Structure identifiers

Canonical SMILES
Clc1cc2ccccc2nn1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(N=N2)Cl
InChI
InChI=1S/C8H5ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKey
REUOCJLVDZPJEK-UHFFFAOYSA-N
PubChem CID
11194524

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 3-chlorocinnoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chlorocinnoline; 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