Basic information
- Standard SMILES
CCOP(C)(=O)CCC(=O)c1ccc(Br)cc1- InChIKey
GWXNTPAAFSGUKO-UHFFFAOYSA-N- Molecular formula
- C12H16BrO3P
- Average molar mass
- 319.13 g/mol
Names & identifiers
- Preferred name
- Ethyl [3-(4-bromophenyl)-3-oxopropyl]methylphosphinate
- IUPAC
- 1-(4-bromophenyl)-3-[ethoxy(methyl)phosphoryl]propan-1-one
Names & synonyms
SCHEMBL2208915GWXNTPAAFSGUKO-UHFFFAOYSA-Nethyl [3-(4-bromophenyl)-3-oxopropyl]methylphosphinate
Database identifiers
- PubChem CID
- 57925852
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
3 records
Compound notes
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