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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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