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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,5-difluorophenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(2,5-difluorophenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(2,5-difluorophenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(2,5-difluorophenyl)-5-propyl-triazole-4-carboxylic acid Formula: C12H11F2N3O2 MolecularWeight: 267.231446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C=CC(=C2)F)F)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C=CC(=C2)F)F)C(=O)O

InChI

InChI=1S/C12H11F2N3O2/c1-2-3-9-11(12(18)19)15-16-17(9)10-6-7(13)4-5-8(10)14/h4-6H,2-3H2,1H3,(H,18,19)