Basic information
- CAS
131138-20-0- Standard SMILES
Clc1cc(Cl)c(Oc2cc(Cl)c(Cl)c(Cl)c2)cc1Cl- InChIKey
DYSUSQZPGJXVAL-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,3',4,4',5,5'-Hexachlorodiphenyl ether
- IUPAC
- 1,2,3-trichloro-5-(2,4,5-trichlorophenoxy)benzene
Names & synonyms
2,3',4,4',5,5'-Hexachlorodiphenyl ether1,2,3-trichloro-5-(2,4,5-trichlorophenoxy)benzene131138-20-0UNII-Y27B5M7G40Y27B5M7G40PCDE 167DTXSID90156909RefChem:81131DTXCID7079400Q27294169
Database identifiers
- CAS
131138-20-0- PubChem CID
- 86396
- DTXSID
DTXSID90156909- UNII
- Y27B5M7G40
- Nikkaji
- J772.330J
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
LogP7.11
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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