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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFN3O2/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)