Molecular properties
- Formula
- C7H15Br
- Molar mass
- 179.10 g·mol−1
- Exact mass
- 178.0357 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 1974-04-5
- PubChem CID
- 16090
Molecule record
2-BROMOHEPTANE
C7H15Br
179.10 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (1-methyl) hexylbromide
- (1-methyl)hexylbromide
- 1974-04-5
- 2-Bromoheptane, technical grade
- 2-Heptyl bromide
- 217-824-3
- 6-bromoheptane
- DTXCID00818602
Show all 22 synonyms
- DTXSID40870921
- EINECS 217-824-3
- HLAUCEOFCOXKNF-UHFFFAOYSA-N
- Heptane, 2-bromo-
- MFCD00000164
- NSC 11768
- NSC-11768
- NSC11768
- RefChem:85875
- SCHEMBL1896962
- SCHEMBL43151
- SCHEMBL4539810
- SCHEMBL6055956
- SCHEMBL7875618
Structure identifiers
- Canonical SMILES
- CCCCCC(C)Br
- Isomeric SMILES
- CCCCCC(C)Br
- InChI
- InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
- InChIKey
- HLAUCEOFCOXKNF-UHFFFAOYSA-N
- PubChem CID
- 16090
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 2-BROMOHEPTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-BROMOHEPTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.