Basic information
- CAS
131138-21-1- Standard SMILES
Clc1ccc(Cl)c(Oc2cc(Cl)c(Cl)cc2Cl)c1- InChIKey
MKIAKZAWONVRFF-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,2',4,5,5'-Pentachlorodiphenyl ether
- IUPAC
- 1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene
Names & synonyms
1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene2,2',4,5,5'-Pentachlorodiphenyl ether131138-21-1UNII-N04B191LFDN04B191LFDPCDE 101DTXSID00156910RefChem:80633DTXCID2079401Q27284331
Database identifiers
- CAS
131138-21-1- PubChem CID
- 86397
- DTXSID
DTXSID00156910- UNII
- N04B191LFD
- Nikkaji
- J599.370I
Properties
Computed structural properties
- XLogP
- 6.8
- 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
- 277
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.22
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…