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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-5-tert-butyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(3,4-difluorophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(3,4-difluorophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(3,4-difluorophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(3,4-difluorophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H13F2N3O2 MolecularWeight: 281.258026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F2N3O2/c1-13(2,3)12-16-10(11(19)20)17-18(12)7-4-5-8(14)9(15)6-7/h4-6H,1-3H3,(H,19,20)