Molecule ID: 8330

IUPAC Name: 1,2,4,5-tetrachloro-3-nitrobenzene

Description: The molecule is a C-nitro compound that is nitrobenzene in which the four hydrogens located ortho- and para- to the nitro group have been replaced by chlorines. A fungicide used to control dry rot, it is no longer approved for use within the European Union. It has a role as an antifungal agrochemical. It is a C-nitro compound, a tetrachlorobenzene and an aromatic fungicide. It derives from a 1,2,4,5-tetrachlorobenzene.

SMILES: O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl

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

InChI: InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 3.9