1,3-bis(4-fluorophenyl)urea

1,3-bis(4-fluorophenyl)urea bmse011036 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H10F2N2O

Natural Isotopic Abundance Mass: 248.22810639999986

Mono-Isotopic Molecular Masses:

  • C12N14: 248.07611939
  • C13N14: 261.11973228400024
  • C12N15: 250.070189176
  • C13N15: 263.1138020700003

InChI string: InChI=1S/C13H10F2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

IUPAC: 1,3-bis(4-fluorophenyl)urea

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)