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CHEBI:141023 - 2,3,6-trichloro-4-hydroxyphenolate

ChEBI IDCHEBI:141023
ChEBI Name2,3,6-trichloro-4-hydroxyphenolate
Stars
DefinitionA phenolate anion that is 2,3,5-trichlorobenzene-1,4-diol in which the hydroxy group that is ortho- to two chlorines has undergone deprotonation. The major species at pH 7.3.
Last Modified15 June 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H2Cl3O2
Net Charge-1
Average Mass212.439
Monoisotopic Mass210.91259
SMILES[O-]c1c(Cl)cc(O)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1,10-11H/p-1
InChIKeyZIIRLFNUZROIBX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,3,6-trichloro-4-hydroxyphenolate (CHEBI:141023) is a phenolate anion (CHEBI:50525)
2,3,6-trichloro-4-hydroxyphenolate (CHEBI:141023) is conjugate base of 2,3,5-trichlorobenzene-1,4-diol (CHEBI:28263)
Incoming Relation(s)
2,3,5-trichlorobenzene-1,4-diol (CHEBI:28263) is conjugate acid of 2,3,6-trichloro-4-hydroxyphenolate (CHEBI:141023)
IUPAC Name 
2,3,6-trichloro-4-hydroxyphenolate
Synonym  Source
2,3,5-trichlorobenzene-1,4-diol(1−)ChEBI
UniProt Name  Source
2,3,6-trichlorohydroquinoneUniProt
Manual XrefsDatabases
236-TRICHLOROHYDROQUINONEMetaCyc
Citations