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

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C12H8BrF2N3O2 MolecularWeight: 344.111626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Br)F)F)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Br)F)F)C(=O)O

InChI

InChI=1S/C12H8BrF2N3O2/c13-7-3-6(14)4-8(15)9(7)18-11(5-1-2-5)16-10(17-18)12(19)20/h3-5H,1-2H2,(H,19,20)