1,3,4,6,7,8-Hexabromo-dibenzofuran

HCID 526261

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Basic information

CAS: 617708-27-7
Standard SMILES: Brc1cc2c(oc3c(Br)c(Br)cc(Br)c32)c(Br)c1Br
InChIKey: HPZIYTSBNUYJNG-UHFFFAOYSA-N
Molecular formula: C12H2Br6O
Average molar mass: 641.6 g/mol
Monoisotopic mass: 635.52059

Names & identifiers

Preferred name: 1,3,4,6,7,8-Hexabromo-dibenzofuran
IUPAC: 1,3,4,6,7,8-hexabromodibenzofuran

Names & synonyms

1,3,4,6,7,8-hexabromo-dibenzofuran617708-27-7DTXSID60335623RefChem:216784DTXCID10286712HPZIYTSBNUYJNG-UHFFFAOYSA-N1,3,4,6,7,8-Hexabromodibenzo[b,d]furan

Database identifiers

CAS: 617708-27-7
PubChem CID: 526261
DTXSID: DTXSID60335623

Properties

Computed structural properties

XLogP: 7.8
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 355

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