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CHEBI:77767 - 3,6-dichlorocatechol(1−)

ChEBI IDCHEBI:77767
ChEBI Name3,6-dichlorocatechol(1−)
Stars
ASCII Name3,6-dichlorocatechol(1-)
DefinitionA phenolate anion that is the conjugate base of 3,6-dichlorocatechol, obtained by deprotonation of one of the twophenolic hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H3Cl2O2
Net Charge-1
Average Mass177.994
Monoisotopic Mass176.95156
SMILES[O-]c1c(Cl)ccc(Cl)c1O
InChIInChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H/p-1
InChIKeyOLCABUKQCUOXNU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,6-dichlorocatechol(1−) (CHEBI:77767) is a phenolate anion (CHEBI:50525)
3,6-dichlorocatechol(1−) (CHEBI:77767) is conjugate base of 3,6-dichlorocatechol (CHEBI:28318)
Incoming Relation(s)
3,6-dichlorocatechol (CHEBI:28318) is conjugate acid of 3,6-dichlorocatechol(1−) (CHEBI:77767)
IUPAC Name 
3,6-dichloro-2-hydroxyphenolate
UniProt Name  Source
3,6-dichlorocatecholUniProt