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

Systemtic Name: 1-(2-bromanyl-4-fluoranyl-phenyl)-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-bromo-4-fluoro-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-(2-bromo-4-fluorophenyl)-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-(2-bromo-4-fluoro-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid Formula: C12H9BrFN3O2 MolecularWeight: 326.121163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=C(C=C(C=C3)F)Br)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=C(C=C(C=C3)F)Br)C(=O)O

InChI

InChI=1S/C12H9BrFN3O2/c13-8-5-7(14)3-4-9(8)17-11(6-1-2-6)10(12(18)19)15-16-17/h3-6H,1-2H2,(H,18,19)