Basic information
- Standard SMILES
COP(=O)(CC(=O)Cc1cccc(Cl)c1)OC- InChIKey
OZFANVREVNSDJM-UHFFFAOYSA-N- Molecular formula
- C11H14ClO4P
- Average molar mass
- 276.65 g/mol
- Monoisotopic mass
- 276.0318236
Names & identifiers
- Preferred name
- Dimethyl [3-(3-chlorophenyl)-2-oxopropyl]phosphonate
- IUPAC
- 1-(3-chlorophenyl)-3-dimethoxyphosphorylpropan-2-one
Names & synonyms
346672-52-4Dimethyl [3-(3-chlorophenyl)-2-oxopropyl]phosphonateSCHEMBL1036997DTXSID50514465OZFANVREVNSDJM-UHFFFAOYSA-NDimethyl 3-(3-chlorophenyl)-2-oxopropylphosphonate[3-(3-Chloro-phenyl)-2-oxo-propyl]-phosphonic acid dimethyl ester[3-(3-chlorophenyl)-2-oxopropyl]-phosphonic acid dimethyl ester
Database identifiers
- CAS
346672-52-4- PubChem CID
- 12989750
- DTXSID
DTXSID50514465
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
18 records
Linked notes
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