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CHEBI:27715 - 3-chlorocatechol

ChEBI IDCHEBI:27715
ChEBI Name3-chlorocatechol
Stars
DefinitionA chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine.
Secondary ChEBI IDsCHEBI:1474, CHEBI:19986
Last Modified30 November 2015
DownloadsMolfile
FormulaC6H5ClO2
Net Charge0
Average Mass144.557
Monoisotopic Mass143.99781
SMILESOc1cccc(Cl)c1O
InChIInChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKeyGQKDZDYQXPOXEM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-chlorocatechol (CHEBI:27715) is a chlorocatechol (CHEBI:23138)
3-chlorocatechol (CHEBI:27715) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
3-chlorobenzene-1,2-diol
Synonyms  Source
3-ChlorocatecholKEGG COMPOUND
3-chloropyrocatecholChemIDplus
UniProt Name  Source
3-chlorocatecholUniProt
Manual XrefsDatabases
C05618KEGG COMPOUND
C05618KEGG COMPOUND
c0144UM-BBD
Registry NumbersSources
Beilstein:1936442Beilstein
Gmelin:601665Gmelin
CAS:4018-65-9KEGG COMPOUND
CAS:4018-65-9ChemIDplus