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CHEBI:28318 - 3,6-dichlorocatechol

ChEBI IDCHEBI:28318
ChEBI Name3,6-dichlorocatechol
Stars
DefinitionA dichlorocatechol in which the two chloro groups are located at positions 3 and 6.
Secondary ChEBI IDsCHEBI:1415, CHEBI:19916
Last Modified24 June 2014
DownloadsMolfile
FormulaC6H4Cl2O2
Net Charge0
Average Mass179.002
Monoisotopic Mass177.95883
SMILESOc1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKeyOLCABUKQCUOXNU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,6-dichlorocatechol (CHEBI:28318) is a dichlorocatechol (CHEBI:23699)
3,6-dichlorocatechol (CHEBI:28318) is conjugate acid of 3,6-dichlorocatechol(1−) (CHEBI:77767)
Incoming Relation(s)
3,6-dichlorocatechol(1−) (CHEBI:77767) is conjugate base of 3,6-dichlorocatechol (CHEBI:28318)
IUPAC Name 
3,6-dichlorobenzene-1,2-diol
Synonyms  Source
3,6-DichlorocatecholKEGG COMPOUND
3,6-dichloro-1,2-benzenediolChemIDplus
3,6-dichloropyrocatecholUM-BBD
Manual XrefsDatabases
C07094KEGG COMPOUND
C07094KEGG COMPOUND
c0590UM-BBD
Registry NumbersSources
Beilstein:1867514Beilstein
CAS:3938-16-7KEGG COMPOUND
CAS:3938-16-7ChemIDplus