2-[(4-fluorobenzoyl)-methylamino]acetic Acid

2-[(4-fluorobenzoyl)-methylamino]acetic Acid bmse011385 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H10FNO3

Natural Isotopic Abundance Mass: 211.18970319999994

Mono-Isotopic Molecular Masses:

  • C12N14: 211.064471405
  • C13N14: 221.09801978500005
  • C12N15: 212.061506298
  • C13N15: 222.09505467800005

InChI string: InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)

IUPAC: 2-[(4-fluorobenzoyl)-methylamino]acetic acid

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)