EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79750 - 4-hydroxy-2',3,5,5'-tetrachlorobiphenyl

ChEBI IDCHEBI:79750
ChEBI Name4-hydroxy-2',3,5,5'-tetrachlorobiphenyl
Stars
DefinitionA member of the class of hydroxybiphenyls that is biphenyl-4-ol substituted by chloro groups at positions 2', 3, 5 and 5' respectively.
Last Modified2 March 2015
DownloadsMolfile
FormulaC12H6Cl4O
Net Charge0
Average Mass307.991
Monoisotopic Mass305.91728
SMILESOc1c(Cl)cc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C12H6Cl4O/c13-7-1-2-9(14)8(5-7)6-3-10(15)12(17)11(16)4-6/h1-5,17H
InChIKeyXKKCINSXSUTMIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2',3,5,5'-tetrachlorobiphenyl (CHEBI:79750) is a dichlorobenzene (CHEBI:23697)
4-hydroxy-2',3,5,5'-tetrachlorobiphenyl (CHEBI:79750) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
2',3,5,5'-tetrachlorobiphenyl-4-ol
Synonym  Source
2',3,5,5'-Tetrachloro-4-biphenylolKEGG COMPOUND
Manual XrefsDatabases
C15248KEGG COMPOUND
Registry NumbersSources
Reaxys:8325434Reaxys
CAS:245084-57-5ChemIDplus