Molecule ID: 8385

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

Description: The molecule is a member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group. It has a role as an explosive.

SMILES: COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

SELFIES: [C][O][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/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 2.0