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

ChEBI IDCHEBI:34413
ChEBI Name4-hydroxy-2,2',3',4',6'-pentachlorobiphenyl
Stars
DefinitionA 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.
Last Modified23 October 2014
DownloadsMolfile
FormulaC12H5Cl5O
Net Charge0
Average Mass342.436
Monoisotopic Mass339.87830
SMILESOc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1
InChIInChI=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
InChIKeyBFEKLMSBXGRXSD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-Hydroxy-2,2',3',4',6'-pentachlorobiphenylKEGG COMPOUND
2,2',3',4',6'-Pentachloro-4-biphenylolKEGG COMPOUND
3-chloro-4-(2,3,4,6-tetrachlorophenyl)phenolChEBI
2,2',3',4',6'-pentachlorobiphenyl-4-olChEBI
Manual XrefsDatabases
C14374KEGG COMPOUND
Registry NumbersSources
CAS:150304-10-2KEGG COMPOUND
CAS:150304-10-2ChemIDplus