Diethyl (1-bromo-2-oxo-1-phenylethyl)phosphonate
Basic information
- CAS
518985-97-2- Standard SMILES
CCOP(=O)(OCC)C(Br)(C=O)c1ccccc1- InChIKey
RTIOGJJSAGYKEK-UHFFFAOYSA-N- Molecular formula
- C12H16BrO4P
- Average molar mass
- 335.13 g/mol
- Monoisotopic mass
- 333.99696
Names & identifiers
- Preferred name
- Diethyl (1-bromo-2-oxo-1-phenylethyl)phosphonate
- IUPAC
- 2-bromo-2-diethoxyphosphoryl-2-phenylacetaldehyde
Names & synonyms
518985-97-2Diethyl (1-bromo-2-oxo-1-phenylethyl)phosphonateDTXSID80514211
Database identifiers
- CAS
518985-97-2- PubChem CID
- 12969477
- DTXSID
DTXSID80514211
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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