Phosphonic acid, methyl-, bis(pentachlorophenyl) ester
Basic information
- CAS
88847-68-1- Standard SMILES
CP(=O)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
WRHMBCKMLPWVIT-UHFFFAOYSA-N- Molecular formula
- C13H3Cl10O3P
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 587.670508
Names & identifiers
- Preferred name
- Phosphonic acid, methyl-, bis(pentachlorophenyl) ester
- IUPAC
- 1,2,3,4,5-pentachloro-6-[methyl-(2,3,4,5,6-pentachlorophenoxy)phosphoryl]oxybenzene
Names & synonyms
Phosphonic acid, methyl-, bis(pentachlorophenyl) ester88847-68-1DTXSID00237374Bis(pentachlorophenyl) methylphosphonate
Database identifiers
- CAS
88847-68-1- PubChem CID
- 56841502
- DTXSID
DTXSID00237374- Nikkaji
- J806.792I
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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