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CHEBI:82458 - 3,5-Dinitrotoluene

ChEBI IDCHEBI:82458
ChEBI Name3,5-Dinitrotoluene
Stars
DownloadsMolfile
FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChIKeyRUIFULUFLANOCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-Dinitrotoluene (CHEBI:82458) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C19410KEGG COMPOUND
Registry NumbersSources
CAS:618-85-9KEGG COMPOUND