EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58046 - 3,5-dibromo-4-oxidobenzonitrile(1−)

ChEBI IDCHEBI:58046
ChEBI Name3,5-dibromo-4-oxidobenzonitrile(1−)
Stars
ASCII Name3,5-dibromo-4-oxidobenzonitrile(1-)
DefinitionThe conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC7H2Br2NO
Net Charge-1
Average Mass275.907
Monoisotopic Mass273.85086
SMILESN#Cc1cc(Br)c([O-])c(Br)c1
InChIInChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1
InChIKeyUPMXNNIRAGDFEH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,5-dibromo-4-oxidobenzonitrile(1−) (CHEBI:58046) is a phenolate anion (CHEBI:50525)
3,5-dibromo-4-oxidobenzonitrile(1−) (CHEBI:58046) is conjugate base of 3,5-dibromo-4-hydroxybenzonitrile (CHEBI:17192)
Incoming Relation(s)
3,5-dibromo-4-hydroxybenzonitrile (CHEBI:17192) is conjugate acid of 3,5-dibromo-4-oxidobenzonitrile(1−) (CHEBI:58046)
IUPAC Name 
2,6-dibromo-4-cyanophenolate
Synonyms  Source
2,6-dibromo-4-cyanobenzen-1-olateChEBI
3,5-dibromo-4-oxidobenzonitrileChEBI
3,5-dibromo-4-oxidobenzonitrile anionChEBI
2,6-dibromo-4-cyanophenolate anionChEBI
UniProt Name  Source
3,5-dibromo-4-hydroxybenzonitrileUniProt