2-fluoro-4-methylbenzamide

2-fluoro-4-methylbenzamide bmse011399 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C8H8FNO

Natural Isotopic Abundance Mass: 153.15362319999994

Mono-Isotopic Molecular Masses:

  • C12N14: 153.058992101
  • C13N14: 161.08583080500003
  • C12N15: 154.056026994
  • C13N15: 162.08286569800003

InChI string: InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)

wwPDB CCD: K3M

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)