Basic information
- CAS
1440-94-4- Standard SMILES
CCCCOP(=O)(OCCCC)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
NCHKIRWAXHKWSQ-UHFFFAOYSA-N- Molecular formula
- C14H18Cl5O4P
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 455.938535
Names & identifiers
- Preferred name
- Dibutyl pentachlorophenyl phosphate
- IUPAC
- dibutyl (2,3,4,5,6-pentachlorophenyl) phosphate
Names & synonyms
Dibutyl pentachlorophenyl phosphate1440-94-4DTXSID40308370RefChem:337358DTXCID20259497NSC203268NSC-203268
Database identifiers
- CAS
1440-94-4- PubChem CID
- 306017
- DTXSID
DTXSID40308370
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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