Basic information
- Standard SMILES
CCC(=O)C(C=O)CCOCCBr- InChIKey
XUBAMAREDPMKIV-UHFFFAOYSA-N- Molecular formula
- C9H15BrO3
- Average molar mass
- 251.12 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2-Bromoethoxy)ethyl]-3,5-pentanedione
- IUPAC
- 2-[2-(2-bromoethoxy)ethyl]-3-oxopentanal
Names & synonyms
XUBAMAREDPMKIV-UHFFFAOYSA-N4-[2-(2-bromoethoxy)ethyl]-3,5-pentanedione
Database identifiers
- PubChem CID
- 21429329
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
1 records
Compound notes
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