ECTO | Classes | AgroPortal

)

ID	http://purl.obolibrary.org/obo/CHEBI_17192 http://purl.obolibrary.org/obo/CHEBI_17192 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_17192 Loading
Preferred name	3,5-dibromo-4-hydroxybenzonitrile
Synonyms	bromoxynil 3,5-Dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-hydroxybenzonitrile 2,6-dibromo-4-cyanophenol
Definitions	A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.

oboinowl_gen:hasAlternativeId	CHEBI:11706 CHEBI:1396 CHEBI:19898
obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_24527 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	Oc1c(Br)cc(cc1Br)C#N
obo_purl:charge	0
obo_purl:inchikey	UPMXNNIRAGDFEH-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_24527 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:hasDbXref	PPDB:96 PMID:11910467 Pesticides:bromoxynil CAS:1689-84-5 KEGG:C04178 UM-BBD_compID:c0480 PMID:24458090 Wikipedia:Bromoxynil Gmelin:1473439 Beilstein:2364039
obo_purl:IAO_0000115	A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.
skos:notation	CHEBI:17192
oboinowl_gen:hasExactSynonym	3,5-Dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-hydroxybenzonitrile
obo_purl:mass	276.91286
obo_purl:inchi	InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_19391
obo_purl:formula	C7H3Br2NO
obo_purl:is_conjugate_acid_of	http://purl.obolibrary.org/obo/CHEBI_58046
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	bromoxynil 2,6-dibromo-4-cyanophenol
oboinowl_gen:id	CHEBI:17192
rdfs:label	3,5-dibromo-4-hydroxybenzonitrile
obo_purl:monoisotopicmass	274.85814
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_37147 http://purl.obolibrary.org/obo/CHEBI_24730 http://purl.obolibrary.org/obo/CHEBI_33853

Add comment

Add proposal

Filter: Hide Archived

Subject	Author	Type	Created
No notes to display