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CHEBI:142786 - 2'-hydroxytriclocarban

ChEBI IDCHEBI:142786
ChEBI Name2'-hydroxytriclocarban
Stars
DefinitionA phenylurea that is urea substituted by 4-chloro-2-hydroxyphenyl and 3,4-dichlorophenyl groups at positions 1 and 3 respectively. A metabolite of triclocarban.
Last Modified30 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H9Cl3N2O2
Net Charge0
Average Mass331.586
Monoisotopic Mass329.97296
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1O
InChIInChI=1S/C13H9Cl3N2O2/c14-7-1-4-11(12(19)5-7)18-13(20)17-8-2-3-9(15)10(16)6-8/h1-6,19H,(H2,17,18,20)
InChIKeyOKSXGOLSKDABPC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-hydroxytriclocarban (CHEBI:142786) is a dichlorobenzene (CHEBI:23697)
2'-hydroxytriclocarban (CHEBI:142786) is a monochlorobenzenes (CHEBI:83403)
2'-hydroxytriclocarban (CHEBI:142786) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
Synonyms  Source
N-(4-chloro-2-hydroxyphenyl)-N'-(3,4-dichlorophenyl)ureaChEBI
2'-OH TCCChEBI
Registry NumbersSources
CAS:63348-26-5ChemIDplus
Citations