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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-dibromo-4-oxidobenzonitrile(1−)
ChEBI ID CHEBI:58046
ChEBI ASCII Name 3,5-dibromo-4-oxidobenzonitrile(1-)
Definition The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H2Br2NO
Net Charge -1
Average Mass 275.90500
Monoisotopic Mass 273.85086
InChI InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1
InChIKey UPMXNNIRAGDFEH-UHFFFAOYSA-M
SMILES [O-]c1c(Br)cc(cc1Br)C#N
ChEBI Ontology
Outgoing 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 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 Sources
2,6-dibromo-4-cyanobenzen-1-olate ChEBI
2,6-dibromo-4-cyanophenolate anion ChEBI
3,5-dibromo-4-hydroxybenzonitrile UniProt
3,5-dibromo-4-oxidobenzonitrile ChEBI
3,5-dibromo-4-oxidobenzonitrile anion ChEBI
Last Modified
13 November 2017