Molecule ID: 71306355

IUPAC Name: 2-[5-(4-chlorophenyl)-1-propan-2-yl-1,2,4-triazol-3-yl]acetic acid

Description: The molecule is a member of the class of triazoles that is 1H-triazole that is substituted at positions 1, 3 and 5 by isopropyl, carboxymethyl and p-chlorophenyl groups, respectively. It has been found to produced bleaching of new growth on a variety of dicotyledonous weeds and is a potent inhibitor of Arabidopsis (Arabidopsis thaliana) seedling growth. It has a role as a plant growth retardant and a herbicide. It is an organochlorine compound, a member of triazoles and a monocarboxylic acid.

SMILES: CC(C)n1nc(CC(=O)O)nc1-c1ccc(Cl)cc1

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

InChI: InChI=1S/C13H14ClN3O2/c1-8(2)17-13(9-3-5-10(14)6-4-9)15-11(16-17)7-12(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 68.0 Ų
- LogP: 2.5