3-(4-fluorophenyl)-1-(3-hydroxyphenyl)urea

3-(4-fluorophenyl)-1-(3-hydroxyphenyl)urea bmse011278 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C13H11FN2O2

Natural Isotopic Abundance Mass: 246.23704319999987

Mono-Isotopic Molecular Masses:

  • C12N14: 246.080455822
  • C13N14: 259.1240687160002
  • C12N15: 248.07452560800002
  • C13N15: 261.11813850200025

InChI string: InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)

wwPDB CCD: LV1

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)