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Molecule record

3-chlorocyclohexan-1-one

C6H9ClO

132.59 g/mol

Loading structure

Molecular properties

Formula
C6H9ClO
Molar mass
132.59 g·mol−1
Exact mass
132.0342 Da
2
PubChem CID
10898759

Functional groups

Alkane / alkyl carbon
Alkyl halide
Ketone

Physical properties

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

Common names and synonyms

  • 21299-27-4
  • 3-chlorocyclohexanone
  • Cyclohexanone, 3-chloro-
  • DTXSID20447539
  • MFCD20621602
  • RefChem:1067626
  • SCHEMBL11239081
  • m-chlorocyclohexanone

Structure identifiers

Canonical SMILES
O=C1CCCC(Cl)C1
Isomeric SMILES
C1CC(CC(=O)C1)Cl
InChI
InChI=1S/C6H9ClO/c7-5-2-1-3-6(8)4-5/h5H,1-4H2
InChIKey
YOXBMCKDEYPAQQ-UHFFFAOYSA-N
PubChem CID
10898759

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-chlorocyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chlorocyclohexan-1-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
3-chlorocyclohexan-1-one - Formula, Structure | ChemArche