Basic information
- CAS
109828-22-0- Standard SMILES
Clc1ccc(Oc2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl- InChIKey
GHTWMHLFFDEYRE-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,3,3',4,4',5-Hexachlorodiphenyl ether
- IUPAC
- 1,2,3,4-tetrachloro-5-(3,4-dichlorophenoxy)benzene
Names & synonyms
1,2,3,4-tetrachloro-5-(3,4-dichlorophenoxy)benzeneBenzene, 1,2,3,4-tetrachloro-5-(3,4-dichlorophenoxy)-2,3,3',4,4',5-Hexachlorodiphenyl etherUNII-C36395773JPCDE 156C36395773JDTXSID3074448RefChem:81171DTXCID8033148109828-22-02,3,3',4,4',5-hexa-chlorodiphenyl etherQ27275129
Database identifiers
- CAS
109828-22-0- PubChem CID
- 86293
- DTXSID
DTXSID3074448- UNII
- C36395773J
- Nikkaji
- J772.328H
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
- 304
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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