Basic information
- CAS
597-80-8- Standard SMILES
O=P(Oc1ccccc1)(Oc1cccc(Cl)c1)Oc1ccccc1Cl- InChIKey
WQNVKZINURPDOK-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2O4P
- Average molar mass
- 395.2 g/mol
- Monoisotopic mass
- 393.9928513
Names & identifiers
- Preferred name
- (2-Chlorophenyl) (3-chlorophenyl) phenyl phosphate
- IUPAC
- (2-chlorophenyl) (3-chlorophenyl) phenyl phosphate
Names & synonyms
NSC 9603
Database identifiers
- CAS
597-80-8- PubChem CID
- 69010
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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