Basic information
- CAS
136471-61-9- Standard SMILES
Brc1cc(Br)c2c(c1Br)Oc1c(Br)c(Br)c(Br)c(Br)c1O2- InChIKey
FWPZKTXUNSTROI-UHFFFAOYSA-N- Molecular formula
- C12HBr7O2
- Average molar mass
- 736.5 g/mol
- Monoisotopic mass
- 729.42602
Names & identifiers
- Preferred name
- 1,2,3,4,6,7,9-Heptabromo-dibenzo-dioxin
- IUPAC
- 1,2,3,4,6,7,9-heptabromodibenzo-p-dioxin
Names & synonyms
1,2,3,4,6,7,9-heptabromo-dibenzo-dioxinFWPZKTXUNSTROI-UHFFFAOYSA-NDTXSID3010200601,2,3,4,6,7,9-heptabromooxanthrene136471-61-9
Database identifiers
- CAS
136471-61-9- PubChem CID
- 526367
- DTXSID
DTXSID301020060
Properties
Computed structural properties
- XLogP
- 7.9
- 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
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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