Basic information
- CAS
106220-81-9- Standard SMILES
Clc1cc(Cl)c(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1- InChIKey
XKQUAQGQLZDDBV-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,2',4,4',5,6'-Hexachlorodiphenyl ether
- IUPAC
- 1,2,4-trichloro-5-(2,4,6-trichlorophenoxy)benzene
Names & synonyms
2,2',4,4',5,6'-Hexachlorodiphenyl etherPCDE congener 154106220-81-9UNII-015259RASF2,2',4,4',5,6'-hexaCDE015259RASFBenzene, 1,3,5-trichloro-2-(2,4,5-trichlorophenoxy)-PCDE 154DTXSID20147547RefChem:80619DTXCID90700381,3,5-trichloro-2-(2,4,5-trichlorophenoxy)benzene
Show more names
Q27231398
Database identifiers
- CAS
106220-81-9- PubChem CID
- 41556
- DTXSID
DTXSID20147547- UNII
- 015259RASF
- Nikkaji
- J772.327J
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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