BMRB

Biological Magnetic Resonance Data Bank


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

6-fluoro-1H-benzimidazole

6-fluoro-1H-benzimidazole bmse012194 - Data

6-fluoro-1H-benzimidazole synonyms

Wikipedia:

Graphical representations:

6-fluoro-1H-benzimidazole

View large 3D structure

Molecular Formula: C7H5FN2

Natural Isotopic Abundance Mass: 136.1264032

Mono-Isotopic Molecular Masses:

  • C12N14: 136.04367639
  • C13N14: 143.06716025600002
  • C12N15: 138.037746176
  • C13N15: 145.06123004200003

InChI string: InChI=1S/C7H5FN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)

IUPAC: b'6-fluoro-1H-benzimidazole'

EU-OPENSCREEN: EOS102924

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)