3-fluoro-4-piperazin-1-ylbenzonitrile

3-fluoro-4-piperazin-1-ylbenzonitrile bmse011213 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H12FN3

Natural Isotopic Abundance Mass: 205.23148319999987

Mono-Isotopic Molecular Masses:

  • C12N14: 205.101525619
  • C13N14: 216.13842883700005
  • C12N15: 208.09263029800002
  • C13N15: 219.12953351600007

InChI string: InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2

IUPAC: 3-fluoro-4-piperazin-1-ylbenzonitrile

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)