Molecule ID: 3031

IUPAC Name: 2,6-dichlorobenzonitrile

Description: The molecule is a nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. It has a role as a herbicide, an agrochemical, a cellulose synthesis inhibitor, a xenobiotic and an environmental contaminant. It is a nitrile and a dichlorobenzene. It derives from a benzonitrile.

SMILES: N#Cc1c(Cl)cccc1Cl

SELFIES: [N][#C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Molecular Properties:
- Polar Surface Area: 23.8 Ų
- LogP: 2.7