Basic information
- CAS
827320-88-7- Standard SMILES
CCOP(=O)(C[C@@H](O)c1ccc(Cl)cc1)OCC- InChIKey
VWCGCZAITAQBMW-GFCCVEGCSA-N- Molecular formula
- C12H18ClO4P
- Average molar mass
- 292.69 g/mol
- Monoisotopic mass
- 292.0631237
Names & identifiers
- Preferred name
- Diethyl [(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]phosphonate
- IUPAC
- (1S)-1-(4-chlorophenyl)-2-diethoxyphosphorylethanol
Names & synonyms
827320-88-7DTXSID30836879Diethyl [(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]phosphonate
Database identifiers
- CAS
827320-88-7- PubChem CID
- 71417543
- DTXSID
DTXSID30836879- Nikkaji
- J2.866.293I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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