Molecular properties
- Formula
- C6H13Br
- Molar mass
- 165.07 g·mol−1
- Exact mass
- 164.0201 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 3377-86-4
- PubChem CID
- 18805
Molecule record
2-BROMOHEXANE
C6H13Br
165.07 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 | 3.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-Hexyl Bromide
- 2-bromo-hexane
- 222-173-3
- 3377-86-4
- DTXCID90818691
- DTXSID60871016
- EINECS 222-173-3
- Hexane, 2-bromo-
Show all 22 synonyms
- InChI=1/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- MFCD00039183
- NEBYCXAKZCQWAW-UHFFFAOYSA-
- NEBYCXAKZCQWAW-UHFFFAOYSA-N
- RU9D9G6PF6
- RefChem:85877
- SCHEMBL125384
- SCHEMBL16991386
- SCHEMBL42455
- SCHEMBL6055969
- SCHEMBL7450592
- SCHEMBL7863891
- SCHEMBL96906
- UNII-RU9D9G6PF6
Structure identifiers
- Canonical SMILES
- CCCCC(C)Br
- Isomeric SMILES
- CCCCC(C)Br
- InChI
- InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- InChIKey
- NEBYCXAKZCQWAW-UHFFFAOYSA-N
- PubChem CID
- 18805
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-BROMOHEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-BROMOHEXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.