Molecule ID: 3083547

IUPAC Name: 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetic acid

Description: The molecule is a ring assembly that is phenoxyacetic acid in which the phenyl group has been substituted at position 2 by chlorine, position 4 by fluorine, and position 5 by a 5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl group. Its esters, particularly the ethyl ester (flufenpyr-ethyl), are used as contact herbicides for the control of broad-leaved weeds. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a monocarboxylic acid, an aromatic ether, a pyridazinone, a member of monofluorobenzenes and a member of monochlorobenzenes.

SMILES: Cc1c(C(F)(F)F)cnn(-c2cc(OCC(=O)O)c(Cl)cc2F)c1=O

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

InChI: InChI=1S/C14H9ClF4N2O4/c1-6-7(14(17,18)19)4-20-21(13(6)24)10-3-11(25-5-12(22)23)8(15)2-9(10)16/h2-4H,5H2,1H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 2.6