4-amino-2,6-dinitrotoluene

Chemical Formula:

C₇H₈N₃O₄

Molecular Weight:

198.158 Daltons

Monoisotopic Mass:

200.067130825 Daltons

SMILES:

CC1(C([N+](=O)[O-])=CC([N+])=CC([N+]([O-])=O)=1)

InChI:

1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3/p+1

InChIKey:

KQRJATLINVYHEZ-UHFFFAOYSA-O

Databases

MetaCyc: CPD-10455

PubChem (CID): 90659376

MetaboLights: MTBLC77424

ChEBI: 77424

ChemSpider: 27494

KEGG: C16394

Seed: cpd15100

MetaNetX: MNXM3497