Molecule ID: 3444

IUPAC Name: 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

Description: The molecule is a member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, an organobromine compound, a member of oxolanes, a member of triazoles, a conazole fungicide and a triazole fungicide.

SMILES: Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1

SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][C][Branch1][C][Br][C][O][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2

Molecular Properties:
- Polar Surface Area: 39.9 Ų
- LogP: 3.6