1-Bromo-1-heptene
Basic information
- CAS
53434-74-5- Standard SMILES
CCCCC/C=C/Br- InChIKey
XNCAEAZUROUZKT-VOTSOKGWSA-N- Molecular formula
- C7H13Br
- Average molar mass
- 177.08 g/mol
- Monoisotopic mass
- 176.02006
Names & identifiers
- Preferred name
- 1-Bromo-1-heptene
- IUPAC
- (E)-1-bromohept-1-ene
- English name
- 1-Bromo-1-heptene
- Molecular formula
- C7H13Br
- Molecular weight
- 177.08
Names & synonyms
1-BROMO-1-HEPTENE(E)-1-bromo-1-heptene89942-12-1trans-1-Bromo-1-hepteneSCHEMBL3911847XNCAEAZUROUZKT-VOTSOKGWSA-NDTXSID60135076953434-74-51-Heptene, 1-bromo-
Database identifiers
- CAS
53434-74-5、89942-12-1- PubChem CID
- 6435474
- DTXSID
DTXSID601350769- Nikkaji
- J905.590H、J97.496J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.4
Physicochemical properties
- Melting point
- -98 °C · -98°C (estimate)
- Boiling point
- 161.96 °C · 161.96°C (estimate)
- Density
- 1.1702 · 1.1702 (estimate)
- refractive index
- 1.458 · 1.4580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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