1-(4-chlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(4-chlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea bmse011320 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H15ClN2O2

Natural Isotopic Abundance Mass: 242.70199999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 242.08220541
  • C13N14: 253.11910862800005
  • C12N15: 244.076275196
  • C13N15: 255.11317841400006

InChI string: InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)

wwPDB CCD: S9V

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)