Molecule ID: 69442

IUPAC Name: 2,4-dimethyl-1,3,5-trinitrobenzene

Description: The molecule is a C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6. It has a role as an explosive. It derives from a 1,3,5-trinitrobenzene and a m-xylene.

SMILES: Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]

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

InChI: InChI=1S/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 2.0