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Molecule record

3-chlorochromen-2-one

C9H5ClO2

180.59 g/mol

Loading structure

Molecular properties

Formula
C9H5ClO2
Molar mass
180.59 g·mol−1
Exact mass
179.9978 Da
7
PubChem CID
96133

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 2H-1-Benzopyran-2-one, 3-chloro-
  • 3-Chloro-2H-1-benzopyran-2-one
  • 3-Chloro-2H-chromen-2-one
  • 3-Chlorocoumarin
  • 3-Chlorocoumarin, 97%
  • 623-091-4
  • 92-45-5
  • AKOS015848882
Show all 24 synonyms
  • C2297
  • CKCOPMSBJBNBCQ-UHFFFAOYSA-N
  • CS-0319102
  • Coumarin, 3-chloro-
  • DB-057305
  • DTXSID10238817
  • FC55043
  • HMS1607G19
  • MFCD00024073
  • NSC 54855
  • NSC54855
  • RefChem:500474
  • SCHEMBL1091133
  • SCHEMBL1091330
  • SCHEMBL3082095
  • SY051993

Structure identifiers

Canonical SMILES
O=c1oc2ccccc2cc1Cl
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)Cl
InChI
InChI=1S/C9H5ClO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKey
CKCOPMSBJBNBCQ-UHFFFAOYSA-N
PubChem CID
96133

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-chlorochromen-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chlorochromen-2-one; 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