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CHEBI:134391 - 3,4,6-trichlorocatechol(1−)

ChEBI IDCHEBI:134391
ChEBI Name3,4,6-trichlorocatechol(1−)
Stars
ASCII Name3,4,6-trichlorocatechol(1-)
DefinitionA phenolate anion resulting from the deprotonation is of the hydroxy group at position 4 of 3,4,6-trichlorocatechol. The major microspecies at pH 7.3.
Last Modified29 January 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H2Cl3O2
Net Charge-1
Average Mass212.439
Monoisotopic Mass210.91259
SMILES[O-]c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H/p-1
InChIKeyLZHZRJKVYOHNTJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4,6-trichlorocatechol(1−) (CHEBI:134391) is a phenolate anion (CHEBI:50525)
3,4,6-trichlorocatechol(1−) (CHEBI:134391) is conjugate base of 3,4,6-trichlorocatechol (CHEBI:32971)
Incoming Relation(s)
3,4,6-trichlorocatechol (CHEBI:32971) is conjugate acid of 3,4,6-trichlorocatechol(1−) (CHEBI:134391)
IUPAC Name 
2,3,5-trichloro-6-hydroxyphenolate
UniProt Name  Source
3,4,6-trichlorocatecholUniProt
Citations