N-(4-Chlorophenyl)-2-cyanoacetamide

N-(4-Chlorophenyl)-2-cyanoacetamide bmse011431 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C9H7ClN2O

Natural Isotopic Abundance Mass: 194.61767999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 194.024690534
  • C13N14: 203.05488407600004
  • C12N15: 196.01876032
  • C13N15: 205.04895386200005

InChI string: InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

IUPAC: N-(4-Chlorophenyl)-2-cyanoacetamide

wwPDB CCD: ELN

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)