Molecular properties
- Formula
- C9H5ClO2
- Molar mass
- 180.59 g·mol−1
- Exact mass
- 179.9978 Da
- 7
- PubChem CID
- 10866951
Molecule record
3-chlorochromen-4-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
- 3-chloro-4H-chromen-4-one
- 3-chloro-chromen-4-one
- 3-chlorochromone
- 4H-1-Benzopyran-4-one, 3-chloro-
- SCHEMBL11740470
Structure identifiers
- Canonical SMILES
- O=c1c(Cl)coc2ccccc12
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=O)C(=CO2)Cl
- InChI
- InChI=1S/C9H5ClO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
- InChIKey
- OVHGJYJDTKYWKN-UHFFFAOYSA-N
- PubChem CID
- 10866951
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 3-chlorochromen-4-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-chlorochromen-4-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.