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CHEBI:156267 - 4-hydroxychlorothalonil(1−)

ChEBI IDCHEBI:156267
ChEBI Name4-hydroxychlorothalonil(1−)
Stars
ASCII Name4-hydroxychlorothalonil(1-)
DefinitionA phenolate anion that is the conjugate base of 4-hydroxychlorothalonil, arising from the deprotonation of the hydroxy group. Major microspecies at pH 7.3
Last Modified5 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8Cl3N2O
Net Charge-1
Average Mass246.460
Monoisotopic Mass244.90817
SMILESN#Cc1c([O-])c(Cl)c(Cl)c(C#N)c1Cl
InChIInChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H/p-1
InChIKeyMDQKYGOECVSPIW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxychlorothalonil(1−) (CHEBI:156267) is a phenolate anion (CHEBI:50525)
4-hydroxychlorothalonil(1−) (CHEBI:156267) is conjugate base of 4-hydroxychlorothalonil (CHEBI:133542)
Incoming Relation(s)
4-hydroxychlorothalonil (CHEBI:133542) is conjugate acid of 4-hydroxychlorothalonil(1−) (CHEBI:156267)
IUPAC Name 
2,3,5-trichloro-4,6-dicyanophenolate
Synonym  Source
4-hydroxychlorothalonil anionChEBI
UniProt Name  Source
4-hydroxychlorothalonilUniProt
Citations