1-(2,4-difluorophenyl)-3-(1,2,4-triazol-4-yl)urea

1-(2,4-difluorophenyl)-3-(1,2,4-triazol-4-yl)urea bmse011633 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C9H7F2N5O

Natural Isotopic Abundance Mass: 239.18158639999993

Mono-Isotopic Molecular Masses:

  • C12N14: 239.061866309
  • C13N14: 248.09205985100004
  • C12N15: 244.04704077400004
  • C13N15: 253.07723431600007

InChI string: InChI=1S/C9H7F2N5O/c10-6-1-2-8(7(11)3-6)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17)

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)