ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_58046 http://purl.obolibrary.org/obo/CHEBI_58046 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_58046 Loading
Preferred name	3,5-dibromo-4-oxidobenzonitrile(1-)
Synonyms	2,6-dibromo-4-cyanophenolate 3,5-dibromo-4-oxidobenzonitrile anion 2,6-dibromo-4-cyanophenolate anion 3,5-dibromo-4-oxidobenzonitrile 2,6-dibromo-4-cyanobenzen-1-olate 3,5-dibromo-4-hydroxybenzonitrile
Definitions	The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	[O-]c1c(Br)cc(cc1Br)C#N
obo_purl:charge	-1
obo_purl:inchikey	UPMXNNIRAGDFEH-UHFFFAOYSA-M
obo_purl:IAO_0000115	The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.
skos:notation	CHEBI:58046
oboinowl_gen:hasExactSynonym	2,6-dibromo-4-cyanophenolate
obo_purl:mass	275.90500
obo_purl:inchi	InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1
obo_purl:formula	C7H2Br2NO
oboinowl_gen:hasOBONamespace	chebi_ontology
obo_purl:is_conjugate_base_of	http://purl.obolibrary.org/obo/CHEBI_17192
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	3,5-dibromo-4-oxidobenzonitrile anion 2,6-dibromo-4-cyanophenolate anion 3,5-dibromo-4-oxidobenzonitrile 2,6-dibromo-4-cyanobenzen-1-olate 3,5-dibromo-4-hydroxybenzonitrile
oboinowl_gen:id	CHEBI:58046
rdfs:label	3,5-dibromo-4-oxidobenzonitrile(1-)
obo_purl:monoisotopicmass	273.85086
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_50525

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