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Molecule record

3-bromoheptane

C7H15Br

179.10 g/mol

Loading structure

Molecular properties

Formula
C7H15Br
Molar mass
179.10 g·mol−1
Exact mass
178.0357 Da
0
PubChem CID
16091

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 1974-05-6
  • 217-825-9
  • 3-Heptyl Bromide
  • AKOS009157924
  • B1234
  • CS-0333705
  • D88770
  • DB-044954
Show all 23 synonyms
  • DTXCID201023273
  • DTXSID70883786
  • EINECS 217-825-9
  • F731244
  • FB10495
  • Heptane, 3-bromo-
  • LS-13355
  • MFCD00039184
  • MLHXKYLLJRLHGH-UHFFFAOYSA-N
  • NS00046623
  • RefChem:93245
  • SCHEMBL1003367
  • SCHEMBL6055939
  • SCHEMBL6055995
  • SCHEMBL7869327

Structure identifiers

Canonical SMILES
CCCCC(Br)CC
Isomeric SMILES
CCCCC(CC)Br
InChI
InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3
InChIKey
MLHXKYLLJRLHGH-UHFFFAOYSA-N
PubChem CID
16091

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-bromoheptane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-bromoheptane; 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-bromoheptane - Formula, Structure | ChemArche