BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1-(2-fluorophenyl)-3-methylurea

1-(2-fluorophenyl)-3-methylurea bmse012253 - Data

1-(2-fluorophenyl)-3-methylurea synonyms

Wikipedia:

Graphical representations:

1-(2-fluorophenyl)-3-methylurea

View large 3D structure

Molecular Formula: C8H9FN2O

Natural Isotopic Abundance Mass: 168.16826319999998

Mono-Isotopic Molecular Masses:

  • C12N14: 168.069891138
  • C13N14: 176.09672984200003
  • C12N15: 170.063960924
  • C13N15: 178.09079962800004

InChI string: InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)

EU-OPENSCREEN: EOS102993

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)