Basic information
- CAS
16485-99-7- Standard SMILES
CCOP(=O)(CC=CCl)OCC- InChIKey
XENNXUCIWBEUFL-UHFFFAOYSA-N- Molecular formula
- C7H14ClO3P
- Average molar mass
- 212.61 g/mol
- Monoisotopic mass
- 212.036909
Names & identifiers
- Preferred name
- Diethyl (3-chloroallyl)phosphonate
- IUPAC
- 1-chloro-3-diethoxyphosphorylprop-1-ene
Names & synonyms
Diethyl (3-chloroallyl)phosphonateEINECS 240-542-7DTXSID20937001XENNXUCIWBEUFL-UHFFFAOYSA-NDiethyl (3-chloroprop-2-en-1-yl)phosphonate
Database identifiers
- CAS
16485-99-7- PubChem CID
- 86010
- DTXSID
DTXSID20937001- EC Number
- 240-542-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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