Molecule ID: 11883

IUPAC Name: 4-methyl-1,2-dinitrobenzene

Description: The molecule is a dinitrotoluene in which the methyl group is meta to one of the nitro groups and para to the other. A uellow crystalline compound that is virtually insoluble in water but dissolves in most organic solvents. It has a role as an explosive.

SMILES: Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

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

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

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 2.1