Heptachlorodiphenyl ether (mixed isomers)
Basic information
- CAS
55684-92-9- Standard SMILES
Clc1cc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl- InChIKey
YUBXSCDZYOJXNX-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7O
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 407.800359
Names & identifiers
- Preferred name
- Heptachlorodiphenyl ether (mixed isomers)
- IUPAC
- 1,2,3,5-tetrachloro-4-(3,4,5-trichlorophenoxy)benzene
- English name
- Heptachlorodiphenyloxide
- Molecular weight
- 0
Names & synonyms
55684-92-9Q1WYO3S037RefChem:10864102,3,3',4,4',5',6-Heptachlorodiphenyl etherPCDE 1911101V71F9UEther, heptachlorodiphenyl727739-02-8Heptachloro diphenyl etherUNII-1101V71F9UUNII-Q1WYO3S0371,2,3,5-tetrachloro-4-(3,4,5-trichlorophenoxy)benzene
Show more names
Heptachlorodiphenyloxide
DTXSID80971042Q27251194
Database identifiers
- CAS
55684-92-9、727739-02-8- PubChem CID
- 41521
- DTXSID
DTXSID80971042- UNII
- 1101V71F9U
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
- 319
Physicochemical properties
- FDA UNII
- 1 WYO3S037 · Q1WYO3S037
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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