Basic information
- CAS
157683-74-4- Standard SMILES
Clc1cc(Cl)c(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1- InChIKey
POOXVKSDWCXIBU-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,3',4,4',6-Pentachlorodiphenyl ether
- IUPAC
- 1,3,5-trichloro-2-(3,4-dichlorophenoxy)benzene
Names & synonyms
2,3',4,4',6-Pentachlorodiphenyl ether157683-74-41,3,5-trichloro-2-(3,4-dichlorophenoxy)benzeneUNII-3200C5XC833200C5XC83benzene, 1,3,5-trichloro-2-(3,4-dichlorophenoxy)-PCDE 119DTXSID50166302Q27256095InChI=1/C12H5Cl5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5
Database identifiers
- CAS
157683-74-4- PubChem CID
- 640685
- DTXSID
DTXSID50166302- UNII
- 3200C5XC83
- Nikkaji
- J656.386D
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
- 265
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.44
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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