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

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2,6-difluorophenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(2,6-difluorophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2,6-difluorophenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2,6-difluorophenyl)triazole-4-carboxylic acid Formula: C12H9F2N3O2 MolecularWeight: 265.215566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=C(C=CC=C3F)F)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=C(C=CC=C3F)F)C(=O)O

InChI

InChI=1S/C12H9F2N3O2/c13-7-2-1-3-8(14)11(7)17-10(6-4-5-6)9(12(18)19)15-16-17/h1-3,6H,4-5H2,(H,18,19)