3-(4-fluorophenyl)-1-(furan-2-ylmethyl)urea

3-(4-fluorophenyl)-1-(furan-2-ylmethyl)urea bmse011026 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H11FN2O2

Natural Isotopic Abundance Mass: 234.2263431999999

Mono-Isotopic Molecular Masses:

  • C12N14: 234.080455822
  • C13N14: 246.12071387800006
  • C12N15: 236.07452560800002
  • C13N15: 248.11478366400007

InChI string: InChI=1S/C12H11FN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)

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)