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2,6-dinitrotoluene

PropertiesImage
MNX_IDMNXM14152 Image of MNXM14152
referencechebi:957
formulaC7H6N2O4
global charge0
mol weight182.135
InChIKeyXTRDKALNCIHHNI-UHFFFAOYSA-N
InChIInChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
SMILESCC1=C([N+](=O)[O-])C=CC=C1[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3 Image of MNXM14152
SMILES (mnx)[CH3:1][C:5]1=[C:6]([N+:8]([O-:10])=[O:11])[CH:3]=[CH:2][CH:4]=[C:7]1[N+:9]([O-:12])=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:957
chebi:957
XTRDKALNCIHHNI-UHFFFAOYSA-N 		2,6-dinitrotoluene
1-methyl-2,6-dinitrobenzene
2,6-DNT
2,6-Dinitrotoluene
2,6-dinitromethylbenzene
2-methyl-1,3-dinitrobenzene

seed.compound:cpd07893
seedM:cpd07893
XTRDKALNCIHHNI-UHFFFAOYSA-N 		2,6-DNT
2,6-Dinitrotoluene
2,6-dinitrotoluene
hmdb:HMDB0245521
XTRDKALNCIHHNI-UHFFFAOYSA-N 		2,6-Dinitrotoluene
1-Methyl-2,6-dinitrobenzene
2,6-DNT
2,6-Dinitromethylbenzene
2,6-dinitrotoluene
2-methyl-1,3-dinitrobenzene
DNT

kegg.compound:C11008
keggC:C11008
XTRDKALNCIHHNI-UHFFFAOYSA-N 		2,6-Dinitrotoluene
2,6-DNT

metacyc.compound:CPD-9133
metacycM:CPD-9133
XTRDKALNCIHHNI-UHFFFAOYSA-N 		2,6-dinitrotoluene
2,6-DNT

keggC:M_C11008
seedM:M_cpd07893 		secondary/obsolete/fantasy identifier