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

Systemtic Name: 5-tert-butyl-1-(4-chloranyl-2-fluoranyl-phenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-chloro-2-fluoro-phenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-chloro-2-fluorophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(4-chloro-2-fluorophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-chloro-2-fluoro-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C13H13ClFN3O2 MolecularWeight: 297.712623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1C2=C(C=C(C=C2)Cl)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1C2=C(C=C(C=C2)Cl)F)C(=O)O

InChI

InChI=1S/C13H13ClFN3O2/c1-13(2,3)12-16-10(11(19)20)17-18(12)9-5-4-7(14)6-8(9)15/h4-6H,1-3H3,(H,19,20)