CHEBI:34413 - 4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl
ChEBI ID CHEBI:34413
Definition A member of the class of hydroxybiphenyls that is phenol substituted in the 3-position by chlorine and in the 4-position by a 2,3,4,6-tetrachlorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H5Cl5O
Net Charge 0
Average Mass 342.43300
Monoisotopic Mass 339.87830
InChI InChI=1S/C12H5Cl5O/c13-7-3-5(18)1-2-6(7)10-8(14)4-9(15)11(16)12(10)17/h1-4,18H
InChIKey BFEKLMSBXGRXSD-UHFFFAOYSA-N
SMILES Oc1ccc(c(Cl)c1)-c1c(Cl)cc(Cl)c(Cl)c1Cl
ChEBI Ontology
Outgoing 4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl (CHEBI:34413) is a hydroxybiphenyls (CHEBI:24681)
4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl (CHEBI:34413) is a monochlorobenzenes (CHEBI:83403)
4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl (CHEBI:34413) is a tetrachlorobenzene (CHEBI:26888)
IUPAC Name
2,2',3',4',6'-pentachloro[1,1'-biphenyl]-4-ol
Synonyms Sources
2,2',3',4',6'-Pentachloro-4-biphenylol KEGG COMPOUND
2,2',3',4',6'-pentachlorobiphenyl-4-ol ChEBI
3-chloro-4-(2,3,4,6-tetrachlorophenyl)phenol ChEBI
4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl KEGG COMPOUND
Manual Xref Database
C14374 KEGG COMPOUND
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Registry Numbers Types Sources
150304-10-2 CAS Registry Number KEGG COMPOUND
150304-10-2 CAS Registry Number ChemIDplus
Last Modified
23 October 2014