1-[3,4-bis(fluoranyl)phenyl]-5-tert-butyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-5-tert-butyl-pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(3,4-difluorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid Formula: C14H14F2N2O2 MolecularWeight: 280.269966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C14H14F2N2O2/c1-14(2,3)12-7-11(13(19)20)17-18(12)8-4-5-9(15)10(16)6-8/h4-7H,1-3H3,(H,19,20)