1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-tert-butyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)-5-tert-butyl-4-triazolecarboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-5-tert-butyltriazole-4-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid Formula: C13H12BrF2N3O2 MolecularWeight: 360.154086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=C(C=C(C=C2Br)F)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=C(C=C(C=C2Br)F)F)C(=O)O

InChI

InChI=1S/C13H12BrF2N3O2/c1-13(2,3)11-9(12(20)21)17-18-19(11)10-7(14)4-6(15)5-8(10)16/h4-5H,1-3H3,(H,20,21)