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

Systemtic Name: 3-[3,5-bis(fluoranyl)phenyl]-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-3-(3,5-difluorophenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-3-(3,5-difluorophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-3-(3,5-difluorophenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-3-(3,5-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(N=N1)C2=CC(=CC(=C2)F)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N(N=N1)C2=CC(=CC(=C2)F)F)C(=O)O

InChI

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