2,3,3',4,5'-Pentachlorodiphenyl ether
Basic information
- CAS
160282-07-5- Standard SMILES
Clc1cc(Cl)cc(Oc2ccc(Cl)c(Cl)c2Cl)c1- InChIKey
HCTKORQPUZCIAO-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,3,3',4,5'-Pentachlorodiphenyl ether
- IUPAC
- 1,2,3-trichloro-4-(3,5-dichlorophenoxy)benzene
Names & synonyms
2,3,3',4,5'-Pentachlorodiphenyl etherUNII-YGB7T5OWDRYGB7T5OWDR160282-07-51,2,3-trichloro-4-(3,5-dichlorophenoxy)benzenePCDE 108DTXSID508770272,3,3',4,5'-PentachlorodiphenyletherQ27294509
Database identifiers
- CAS
160282-07-5- PubChem CID
- 14935802
- DTXSID
DTXSID50877027- UNII
- YGB7T5OWDR
- Nikkaji
- J1.601.175D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LogP6.58
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Compound notes
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