1,3,4,6,7-Pentabromo-dibenzofuran

HCID 526262

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Basic information

CAS: 617708-10-8
Standard SMILES: Brc1ccc2c(oc3c(Br)c(Br)cc(Br)c32)c1Br
InChIKey: WQODLBVPWYABOS-UHFFFAOYSA-N
Molecular formula: C12H3Br5O
Average molar mass: 562.7 g/mol
Monoisotopic mass: 557.61008

Names & identifiers

Preferred name: 1,3,4,6,7-Pentabromo-dibenzofuran
IUPAC: 1,3,4,6,7-pentabromodibenzofuran

Names & synonyms

1,3,4,6,7-pentabromo-dibenzofuran617708-10-8DTXSID20335624RefChem:216787DTXCID70286713WQODLBVPWYABOS-UHFFFAOYSA-N1,3,4,6,7-Pentabromodibenzo[b,d]furan

Database identifiers

CAS: 617708-10-8
PubChem CID: 526262
DTXSID: DTXSID20335624

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 328

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