Molecule ID: 11761

IUPAC Name: 1-methyl-2,3-dinitrobenzene

Description: The molecule is a dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups. It has a role as an explosive.

SMILES: Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

SELFIES: [C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 1.9