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2,4-dinitrotoluene

PropertiesImage
MNX_IDMNXM5441 Image of MNXM5441
referencechebi:920
formulaC7H6N2O4
global charge0
mol weight182.135
InChIKeyRMBFBMJGBANMMK-UHFFFAOYSA-N
InChIInChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
SMILESCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3 Image of MNXM5441
SMILES (mnx)[CH3:1][C:5]1=[C:7]([N+:9]([O-:12])=[O:13])[CH:4]=[C:6]([N+:8]([O-:10])=[O:11])[CH:3]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:920
chebi:920
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-dinitrotoluene
1-methyl-2,4-dinitrobenzene
2,4-DNT
2,4-Dinitrotoluene
2,4-dinitro-1-methylbenzene
2,4-dinitromethylbenzene
2,4-dinitrotoluol
DNT

seed.compound:cpd07891
seedM:cpd07891
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-DNT
2,4-Dinitrotoluene
2,4-dinitrotoluene

envipath:...4d525cfe8d33
envipathM:...4d525cfe8d33
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-Dinitrotoluene
hmdb:HMDB0245464
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-Dinitrotoluene
1-methyl-2,4-dinitrobenzene
2,4-DNT
2,4-Dinitro-1-methylbenzene
2,4-Dinitromethylbenzene
2,4-Dinitrotoluol
2,4-dinitrotoluene
DNT

kegg.compound:C11006
keggC:C11006
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-Dinitrotoluene
2,4-DNT

metacyc.compound:CPD-9132
metacycM:CPD-9132
RMBFBMJGBANMMK-UHFFFAOYSA-N 		2,4-dinitrotoluene
2,4-DNT

keggC:M_C11006
seedM:M_cpd07891 		secondary/obsolete/fantasy identifier