Phosphoric acid, 1-(chloromethyl)ethenyl diethyl ester
Basic information
- CAS
81431-81-4- Standard SMILES
C=C(CCl)OP(=O)(OCC)OCC- InChIKey
FVCATRWQEXWRPW-UHFFFAOYSA-N- Molecular formula
- C7H14ClO4P
- Average molar mass
- 228.61 g/mol
- Monoisotopic mass
- 228.0318236
Names & identifiers
- Preferred name
- Phosphoric acid, 1-(chloromethyl)ethenyl diethyl ester
- IUPAC
- 3-chloroprop-1-en-2-yl diethyl phosphate
Names & synonyms
81431-81-4Phosphoric acid, 1-(chloromethyl)ethenyl diethyl esterDTXSID00403693RefChem:370881DTXCID703545473-chloroprop-1-en-2-yl diethyl phosphate
Database identifiers
- CAS
81431-81-4- PubChem CID
- 4490727
- DTXSID
DTXSID00403693
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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