5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 5-phenyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid CAS Name: 5-phenyl-1-(2,2,2-trifluoroethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-phenyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Traditional Name: 5-phenyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2CC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2CC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-10(8-4-2-1-3-5-8)9(6-16-17)11(18)19/h1-6H,7H2,(H,18,19)