Molecule ID: 11887

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

Description: The molecule is an aromatic ether comprised of phenetole substituted at C-2 and C-4 by nitro groups. It is an aromatic ether and a C-nitro compound.

SMILES: CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

SELFIES: [C][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/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 2.3