1,3,4,7,8-Pentabromo-dibenzofuran

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Basic information

CAS: 617708-13-1
Standard SMILES: Brc1cc2oc3c(Br)c(Br)cc(Br)c3c2cc1Br
InChIKey: LEKZUOJYGRQREX-UHFFFAOYSA-N
Molecular formula: C12H3Br5O
Average molar mass: 562.7 g/mol
Monoisotopic mass: 557.61008

Names & identifiers

Preferred name: 1,3,4,7,8-Pentabromo-dibenzofuran
IUPAC: 1,3,4,7,8-pentabromodibenzofuran

Names & synonyms

1,3,4,7,8-pentabromo-dibenzofuran617708-13-1DTXSID00335627RefChem:216803DTXCID50286716LEKZUOJYGRQREX-UHFFFAOYSA-N1,3,4,7,8-Pentabromodibenzo[b,d]furan

Database identifiers

CAS: 617708-13-1
PubChem CID: 526265
DTXSID: DTXSID00335627

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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Compound notes

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