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CHEBI:90882 - 3,4-dichlorocatechol

ChEBI IDCHEBI:90882
ChEBI Name3,4-dichlorocatechol
Stars
DefinitionA dichlorocatechol that is catechol in which the hydrogens at positions 3 and 4 are replaced by chlorines.
Last Modified11 January 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H4Cl2O2
Net Charge0
Average Mass179.002
Monoisotopic Mass177.95883
SMILESOc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C6H4Cl2O2/c7-3-1-2-4(9)6(10)5(3)8/h1-2,9-10H
InChIKeyHFSXRRTUWAPWSJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3,4-dichlorocatechol (CHEBI:90882) has role bacterial xenobiotic metabolite (CHEBI:76976)
3,4-dichlorocatechol (CHEBI:90882) is a dichlorocatechol (CHEBI:23699)
IUPAC Name 
3,4-dichlorobenzene-1,2-diol
Synonym  Source
DCBZChemIDplus
UniProt Name  Source
3,4-dichlorocatecholUniProt
Registry NumbersSources
Reaxys:2089512Reaxys
CAS:3978-67-4ChemIDplus
Citations