Basic information
- CAS
136471-84-6- Standard SMILES
Clc1cc2c(c(Cl)c1Br)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2- InChIKey
LOOKWUTZPPJETG-UHFFFAOYSA-N- Molecular formula
- C12HBrCl6O2
- Average molar mass
- 469.7 g/mol
- Monoisotopic mass
- 465.72911
Names & identifiers
- Preferred name
- Dibenzo-p-dioxin, 7-bromo-1,2,3,4,6,8-hexachlro-
- IUPAC
- 7-bromo-1,2,3,4,6,8-hexachlorodibenzo-p-dioxin
Names & synonyms
7-bromo-1,2,3,4,6,8-hexachlorooxanthreneDibenzo-p-dioxin, 7-bromo-1,2,3,4,6,8-hexachlro-136471-84-6DTXSID50159810Dibenzo(b,e)(1,4)dioxin, 7-bromo-1,2,3,4,6,8-hexachloro-RefChem:337239DTXCID60823017-bromo,1,2,3,4,6,8-hexachloro-dibenzo-dioxinLOOKWUTZPPJETG-UHFFFAOYSA-N
Database identifiers
- CAS
136471-84-6- PubChem CID
- 178336
- DTXSID
DTXSID50159810
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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