5-tert-butyl-1-(4-fluorophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-fluorophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-fluorophenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(4-fluorophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-fluorophenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-fluorophenyl)triazole-4-carboxylic acid Formula: C13H14FN3O2 MolecularWeight: 263.267563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN3O2/c1-13(2,3)11-10(12(18)19)15-16-17(11)9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H,18,19)