CHEBI:27772 - 4-chlorocatechol

ChEBI IDCHEBI:27772
ChEBI Name4-chlorocatechol
Stars
DefinitionA chlorocatechol that is catechol substituted by a chloro group at position 4.
Secondary ChEBI IDsCHEBI:1806, CHEBI:20338
Last Modified1 December 2015
DownloadsMolfile
FormulaC6H5ClO2
Net Charge0
Average Mass144.557
Monoisotopic Mass143.99781
SMILESOc1ccc(Cl)cc1O
InChIInChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKeyWWOBYPKUYODHDG-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)
4-chlorocatechol (CHEBI:27772) has role bacterial xenobiotic metabolite (CHEBI:76976)
4-chlorocatechol (CHEBI:27772) is a chlorocatechol (CHEBI:23138)
4-chlorocatechol (CHEBI:27772) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
4-chlorobenzene-1,2-diol
Synonyms  Source
4-chloro-1,2-benzenediolChemIDplus
4-ChlorocatecholKEGG COMPOUND
4-chloropyrocatecholChemIDplus
UniProt Name  Source
4-chlorocatecholUniProt
Manual XrefsDatabases
4CLPDBeChem
C02375KEGG COMPOUND
C02375KEGG COMPOUND
c0296UM-BBD
CPD-9152MetaCyc
HMDB0041810HMDB
Registry NumbersSources
Reaxys:1907691Reaxys
Gmelin:602391Gmelin
CAS:2138-22-9KEGG COMPOUND
CAS:2138-22-9ChemIDplus
Citations