Basic information
- CAS
102575-02-0- Standard SMILES
CCCC=C(Br)C(=O)OCC- InChIKey
QRKWZSWILJXLJU-UHFFFAOYSA-N- Molecular formula
- C8H13BrO2
- Average molar mass
- 221.09 g/mol
- Monoisotopic mass
- 220.00989176
Names & identifiers
- Preferred name
- Ethyl 2-bromohex-2-enoate
- IUPAC
- ethyl 2-bromohex-2-enoate
Names & synonyms
ethyl 2-bromohex-2-enoateSCHEMBL409984DTXSID20761202QRKWZSWILJXLJU-UHFFFAOYSA-N
Database identifiers
- CAS
102575-02-0- PubChem CID
- 71332829
- DTXSID
DTXSID20761202
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Related reactions
2 records
Compound notes
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