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Molecule record

4-bromocyclohexan-1-one

C6H9BrO

177.04 g/mol

Loading structure

Molecular properties

Formula
C6H9BrO
Molar mass
177.04 g·mol−1
Exact mass
175.9837 Da
2
PubChem CID
11401088

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

  • 22460-52-2
  • 4-Bromocyclohexanone
  • 855-838-7
  • AKOS026730019
  • C77503
  • CS-0139183
  • Cyclohexanone, 4-bromo-
  • Cyclohexanone,4-bromo-
Show all 21 synonyms
  • DB-380824
  • DTXSID00464683
  • EN300-139262
  • F621814
  • MFCD20621393
  • OMCGWSBEIHGWOH-UHFFFAOYSA-N
  • PS-15546
  • RefChem:520495
  • SCHEMBL27986988
  • SCHEMBL3839916
  • SY275581
  • XAA46052
  • mono-bromocyclohexanone

Structure identifiers

Canonical SMILES
O=C1CCC(Br)CC1
Isomeric SMILES
C1CC(=O)CCC1Br
InChI
InChI=1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2
InChIKey
OMCGWSBEIHGWOH-UHFFFAOYSA-N
PubChem CID
11401088

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 4-bromocyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromocyclohexan-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