4-chloranyl-2-methyl-5-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-2-methyl-5-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-2-methyl-5-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid CAS Name: 4-chloro-2-methyl-5-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-2-methyl-5-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 4-chloro-2-methyl-5-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Formula: C7H6ClF3N2O2 MolecularWeight: 242.58295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)CC(F)(F)F)Cl)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)CC(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C7H6ClF3N2O2/c1-13-5(6(14)15)4(8)3(12-13)2-7(9,10)11/h2H2,1H3,(H,14,15)