Molecule ID: 8461

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

Description: The molecule is a dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.

SMILES: Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 2.0