5-chloranyl-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(o-tolyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-methylphenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(o-tolyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H8ClF3N2O2 MolecularWeight: 304.65233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C12H8ClF3N2O2/c1-6-4-2-3-5-7(6)18-10(13)8(11(19)20)9(17-18)12(14,15)16/h2-5H,1H3,(H,19,20)