Basic information
- CAS
90835-99-7- Standard SMILES
CCCCCCCCOC(=O)CC(=O)CBr- InChIKey
PVLXSQWDOVFOND-UHFFFAOYSA-N- Molecular formula
- C12H21BrO3
- Average molar mass
- 293.2 g/mol
- Monoisotopic mass
- 292.06741
Names & identifiers
- Preferred name
- Octyl 4-bromo-3-oxobutanoate
- IUPAC
- octyl 4-bromo-3-oxobutanoate
Names & synonyms
OCTYL 4-BROMO-3-OXOBUTANOATE90835-99-7SCHEMBL4640187DTXSID30619503
Database identifiers
- CAS
90835-99-7- PubChem CID
- 21889596
- DTXSID
DTXSID30619503- Nikkaji
- J1.816.367E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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