Molecule ID: 91749

IUPAC Name: 7-chloro-3-methylquinoline-8-carboxylic acid

Description: The molecule is a quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. It has a role as a herbicide, an environmental contaminant and a synthetic auxin. It is a quinolinemonocarboxylic acid and an organochlorine compound.

SMILES: Cc1cnc2c(C(=O)O)c(Cl)ccc2c1

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

InChI: InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 50.2 Ų
- LogP: 2.7