Basic information
- CAS
136471-85-7- Standard SMILES
Clc1cc(Cl)c2c(c1Cl)Oc1c(Br)c(Cl)c(Cl)c(Cl)c1O2- InChIKey
WDKXQHLCDSRHQV-UHFFFAOYSA-N- Molecular formula
- C12HBrCl6O2
- Average molar mass
- 469.7 g/mol
- Monoisotopic mass
- 465.72911
Names & identifiers
- Preferred name
- Dibenzo(b,e)(1,4)dioxin, 4-bromo-1,2,3,6,7,9-hexachloro-
- IUPAC
- 4-bromo-1,2,3,6,7,9-hexachlorodibenzo-p-dioxin
Names & synonyms
4-BROMO-1,2,3,6,7,9-HEXACHLOROOXANTHRENE136471-85-7Dibenzo(b,e)(1,4)dioxin, 4-bromo-1,2,3,6,7,9-hexachloro-DTXSID10159811RefChem:337082DTXCID10823021-bromo,2,3,4,6,8,9-hexachloro-dibenzo-dioxinWDKXQHLCDSRHQV-UHFFFAOYSA-N
Database identifiers
- CAS
136471-85-7- PubChem CID
- 178337
- DTXSID
DTXSID10159811
Properties
Computed structural properties
- XLogP
- 7.5
- 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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