Molecule ID: 443229

IUPAC Name: 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid

Description: The molecule is a member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively. It is a member of triazoles, a member of monochlorobenzenes, a member of monofluorobenzenes and a monocarboxylic acid.

SMILES: Cc1nn(-c2cc(CC(Cl)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F

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

InChI: InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 73.2 Ų
- LogP: 3.3