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

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-2-fluorophenyl)-5-tert-butyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-2-fluorophenyl)-5-tert-butyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid Formula: C13H13BrFN3O2 MolecularWeight: 342.163623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFN3O2/c1-13(2,3)11-10(12(19)20)16-17-18(11)9-5-4-7(14)6-8(9)15/h4-6H,1-3H3,(H,19,20)