Basic information
- CAS
109828-23-1- Standard SMILES
Clc1cc(Cl)c(Oc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl- InChIKey
BHJCMMGUFRZLKK-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7O
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 407.800359
Names & identifiers
- Preferred name
- 2,2',3,4',5,5',6-Heptachlorodiphenyl ether
- IUPAC
- 1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenoxy)benzene
Names & synonyms
2,2',3,4',5,5',6-Heptachlorodiphenyl ether1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenoxy)benzeneUNII-9MEY5KIH509MEY5KIH50109828-23-1PCDE 187DTXSID20149061RefChem:80570DTXCID4071552Q27272739
Database identifiers
- CAS
109828-23-1- PubChem CID
- 86294
- DTXSID
DTXSID20149061- UNII
- 9MEY5KIH50
- Nikkaji
- J1.595.658E
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP7.13
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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