N-(3-chlorophenyl)-2,2,2-trifluoroacetamide

N-(3-chlorophenyl)-2,2,2-trifluoroacetamide bmse011302 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H5ClF3NO

Natural Isotopic Abundance Mass: 223.57960959999994

Mono-Isotopic Molecular Masses:

  • C12N14: 223.001176125
  • C13N14: 231.02801482900003
  • C12N15: 223.998211018
  • C13N15: 232.02504972200003

InChI string: InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)

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)