Basic information
- CAS
113264-44-1- Standard SMILES
CCCCCCC(Br)C(=O)C(=O)OCC- InChIKey
KGFDPYFWBHSJJZ-UHFFFAOYSA-N- Molecular formula
- C11H19BrO3
- Average molar mass
- 279.17 g/mol
- Monoisotopic mass
- 278.05176
Names & identifiers
- Preferred name
- Ethyl 3-bromo-2-oxononanoate
- IUPAC
- ethyl 3-bromo-2-oxononanoate
Names & synonyms
Ethyl 3-bromo-2-oxononanoateDTXSID201267796Nonanoic acid, 3-bromo-2-oxo-, ethyl ester113264-44-1
Database identifiers
- CAS
113264-44-1- PubChem CID
- 85543787
- DTXSID
DTXSID201267796
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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