Molecular properties
- Formula
- C9H5ClO2
- Molar mass
- 180.59 g·mol−1
- Exact mass
- 179.9978 Da
- 7
- PubChem CID
- 87326
Molecule record
4-chlorochromen-2-one
C9H5ClO2
180.59 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
- 17831-88-8
- 241-790-9
- 2H-1-Benzopyran-2-one, 4-chloro-
- 4-Chloro-2H-1-benzopyran-2-one
- 4-Chloro-chromen-2-one
- 4-chloro coumarin
- 4-chloro-2h-chromen-2-one
- 4-chlorocoumarin
Show all 24 synonyms
- AKOS001483441
- AURORA KA-4413
- CHEMBL1210032
- CS-16631
- DTXCID6092948
- DTXSID80170457
- EINECS 241-790-9
- HMS1607M10
- MFCD00463528
- NSC 74867
- NSC74867
- RefChem:98405
- SAA83188
- SCHEMBL3547598
- SY026915
- starbld0009846
Structure identifiers
- Canonical SMILES
- O=c1cc(Cl)c2ccccc2o1
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=CC(=O)O2)Cl
- InChI
- InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
- InChIKey
- RKEYJFRSDLEQIE-UHFFFAOYSA-N
- PubChem CID
- 87326
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 4-chlorochromen-2-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.