3-[2,5-bis(fluoranyl)phenyl]-1-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[2,5-bis(fluoranyl)phenyl]-1-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(2,5-difluorophenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(2,5-difluorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(2,5-difluorophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(2,5-difluorophenyl)pyrazole-4-carboxylic acid Formula: C14H14F2N2O2 MolecularWeight: 280.269966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC(=C2)F)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC(=C2)F)F)C(=O)O

InChI

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