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Molecule record

3-bromooctane

C8H17Br

193.13 g/mol

Loading structure

Molecular properties

Formula
C8H17Br
Molar mass
193.13 g·mol−1
Exact mass
192.0514 Da
0
PubChem CID
79138

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 213-664-3
  • 999-64-4
  • AKOS009157595
  • DB-057815
  • DTXCID301023145
  • DTXSID20883635
  • EINECS 213-664-3
  • MFCD00039185
Show all 17 synonyms
  • NS00042690
  • OELHQHILWOIUSL-UHFFFAOYSA-N
  • Octane, 3-bromo-
  • RefChem:93251
  • SCHEMBL18660458
  • SCHEMBL2760937
  • SCHEMBL28361120
  • SCHEMBL598141
  • SCHEMBL7873052

Structure identifiers

Canonical SMILES
CCCCCC(Br)CC
Isomeric SMILES
CCCCCC(CC)Br
InChI
InChI=1S/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3
InChIKey
OELHQHILWOIUSL-UHFFFAOYSA-N
PubChem CID
79138

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-bromooctane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-bromooctane; 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