Basic information
- CAS
52418-89-0- Standard SMILES
CCCCCC(=O)C=CBr- InChIKey
ZHOHZPMMOVIYNN-UHFFFAOYSA-N- Molecular formula
- C8H13BrO
- Average molar mass
- 205.09 g/mol
- Monoisotopic mass
- 204.01497714
Names & identifiers
- Preferred name
- 1-Bromooct-1-en-3-one
- IUPAC
- 1-bromooct-1-en-3-one
Names & synonyms
1-Bromooct-1-en-3-one52418-89-0SCHEMBL4456436DTXSID10712127
Database identifiers
- CAS
52418-89-0- PubChem CID
- 54547510
- DTXSID
DTXSID10712127
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
4 records
Compound notes
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