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

Systemtic Name: 5-chloranyl-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2,4-dimethylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H10ClF3N2O2 MolecularWeight: 318.67891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C

InChI

InChI=1S/C13H10ClF3N2O2/c1-6-3-4-8(7(2)5-6)19-11(14)9(12(20)21)10(18-19)13(15,16)17/h3-5H,1-2H3,(H,20,21)