2-Bromo-3-octanone
Basic information
- CAS
109297-30-5- Standard SMILES
CCCCCC(=O)C(C)Br- InChIKey
AMRCQODBPAETCU-UHFFFAOYSA-N- Molecular formula
- C8H15BrO
- Average molar mass
- 207.11 g/mol
- Monoisotopic mass
- 206.03063
Names & identifiers
- Preferred name
- 2-Bromo-3-octanone
- IUPAC
- 2-bromooctan-3-one
Names & synonyms
2-Bromo-3-octanone2-bromooctan-3-one109297-30-5SCHEMBL27457131DTXSID101315853
Database identifiers
- CAS
109297-30-5- PubChem CID
- 13664012
- DTXSID
DTXSID101315853- Nikkaji
- J3.408.816K
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 101
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Related reactions
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Compound notes
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