CHEBI:81534 - 2,2',4,4',5,5'-Hexabromodiphenyl ether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2',4,4',5,5'-Hexabromodiphenyl ether
ChEBI ID CHEBI:81534
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H4Br6O
Net Charge 0
Average Mass 643.58400
Monoisotopic Mass 637.53624
InChI InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
InChIKey RZXIRSKYBISPGF-UHFFFAOYSA-N
SMILES Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
ChEBI Ontology
Outgoing 2,2',4,4',5,5'-Hexabromodiphenyl ether (CHEBI:81534) is a aromatic ether (CHEBI:35618)
2,2',4,4',5,5'-Hexabromodiphenyl ether (CHEBI:81534) is a organobromine compound (CHEBI:37141)
Synonym Source
BDE 153 KEGG COMPOUND
Manual Xrefs Databases
C18137 KEGG COMPOUND
HMDB0037525 HMDB
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Registry Number Type Source
68631-49-2 CAS Registry Number KEGG COMPOUND