1-tert-butyl-5-chloranyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-5-chloranyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-5-chloro-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C9H10ClF3N2O2 MolecularWeight: 270.63611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C9H10ClF3N2O2/c1-8(2,3)15-6(10)4(7(16)17)5(14-15)9(11,12)13/h1-3H3,(H,16,17)