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CHEBI:132357 - 2,3,4,5-tetrachlorophenol

ChEBI IDCHEBI:132357
ChEBI Name2,3,4,5-tetrachlorophenol
Stars
DefinitionA tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5.
Last Modified4 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H2Cl4O
Net Charge0
Average Mass231.893
Monoisotopic Mass229.88598
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKeyRULKYXXCCZZKDZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2,3,4,5-tetrachlorophenol (CHEBI:132357) has role xenobiotic metabolite (CHEBI:76206)
2,3,4,5-tetrachlorophenol (CHEBI:132357) is a tetrachlorophenol (CHEBI:52049)
IUPAC Name 
2,3,4,5-tetrachlorophenol
Synonyms  Source
1-hydroxy-2,3,4,5-tetrachlorobenzeneChEBI
2,3,4,5-TeCPChEBI
Registry NumbersSources
Reaxys:2049590Reaxys
CAS:4901-51-3ChemIDplus
CAS:4901-51-3NIST Chemistry WebBook
Citations