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CHEBI:51398 - 1,4-dinitrobenzene

ChEBI IDCHEBI:51398
ChEBI Name1,4-dinitrobenzene
Stars
DefinitionA dinitrobenzene carrying nitro groups at positions 1 and 4.
Last Modified20 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H4N2O4
Net Charge0
Average Mass168.108
Monoisotopic Mass168.01711
SMILESO=[N+]([O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKeyFYFDQJRXFWGIBS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-dinitrobenzene (CHEBI:51398) is a dinitrobenzene (CHEBI:51396)
IUPAC Name 
1,4-dinitrobenzene
Synonym  Source
p-DinitrobenzeneChemIDplus
UniProt Name  Source
1,4-dinitrobenzeneUniProt
Registry NumbersSources
Reaxys:1105828Reaxys
CAS:100-25-4ChemIDplus
Citations