Molecule ID: 15672202

IUPAC Name: 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid

Description: The molecule is a monocarboxylic acid that is 2-chloro-4-fluorophenylacetic acid in which the phenyl group is substituted at position 5 by a 4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl group. A protoporphyrinogen oxidase inhibitor, it is used (usually as the corresponding ethyl ester proherbicide, pyraflufen-ethyl) for the control of broad-leaved weeds and grasses in a variety of crops. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor, a herbicide and an agrochemical. It is a member of monofluorobenzenes, a member of pyrazoles, a member of monochlorobenzenes, a biaryl, an aromatic ether and a monocarboxylic acid.

SMILES: Cn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1OC(F)F

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

InChI: InChI=1S/C13H9Cl2F3N2O4/c1-20-12(24-13(17)18)10(15)11(19-20)5-2-8(23-4-9(21)22)6(14)3-7(5)16/h2-3,13H,4H2,1H3,(H,21,22)

Molecular Properties:
- Polar Surface Area: 73.6 Ų
- LogP: 4.1