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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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