1-[2,2-bis(fluoranyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2,2-bis(fluoranyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-(2,2-difluoroethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,2-difluoroethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,2-difluoroethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2,2-difluoroethyl)pyrazole-4-carboxylic acid Formula: C6H6F2N2O2 MolecularWeight: 176.120846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC(F)F)C(=O)O

Isomeric SMILES

C1=C(C=NN1CC(F)F)C(=O)O

InChI

InChI=1S/C6H6F2N2O2/c7-5(8)3-10-2-4(1-9-10)6(11)12/h1-2,5H,3H2,(H,11,12)