Molecule ID: 93422

IUPAC Name: 7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium

Description: The molecule is a member of the class of benzotriazines that is 1,2,4-benzotriazine 1-oxide which is substituted by chlorine at position 7 and by a 1H-imidazol-1-yl group at position 3. A fungicide, it is used as a seed treatment for control of seed-borne Pyrenophora graminea and Pyrenophora teres in barley. It has a role as an antifungal agrochemical. It is a member of benzotriazines, a N-oxide, an organochlorine compound, a member of imidazoles and an imidazole fungicide.

SMILES: [O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21

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

InChI: InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H

Molecular Properties:
- Polar Surface Area: 69.1 Ų
- LogP: 0.9