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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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