N-(2,1,3-benzoxadiazol-7-yl)acetamide

N-(2,1,3-benzoxadiazol-7-yl)acetamide bmse011694 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H7N3O2

Natural Isotopic Abundance Mass: 177.16007999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 177.053826479
  • C13N14: 185.08066518300004
  • C12N15: 180.04493115800003
  • C13N15: 188.07176986200005

InChI string: InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)

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)