Basic information
- CAS
52925-84-5- Standard SMILES
CCOP(=O)(OCC)OC(=C(Cl)Cl)C(Cl)(Cl)Cl- InChIKey
WBXNZQKPPIDPJP-UHFFFAOYSA-N- Molecular formula
- C7H10Cl5O4P
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 363.875934
Names & identifiers
- Preferred name
- Diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
- IUPAC
- diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphate
Names & synonyms
52925-84-5diethyl 1,1,3,3,3-pentachloroprop-1-en-2-yl phosphateNSC203262WBXNZQKPPIDPJP-UHFFFAOYSA-DTXSID50308366NSC-203262InChI=1/C7H10Cl5O4P/c1-3-14-17(13,15-4-2)16-5(6(8)9)7(10,11)12/h3-4H2,1-2H3
Database identifiers
- CAS
52925-84-5- PubChem CID
- 306012
- DTXSID
DTXSID50308366
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…