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Biological Magnetic Resonance Data Bank


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

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide bmse011241 - Data bmse011817 - Data

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide synonyms

Wikipedia:

Graphical representations:

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide

View large 3D structure

Molecular Formula: C9H6FN3OS

Natural Isotopic Abundance Mass: 223.2268432

Mono-Isotopic Molecular Masses:

  • C12N14: 223.021561047
  • C13N14: 232.05175458900004
  • C12N15: 226.01266572600002
  • C13N15: 235.04285926800006

InChI string: InChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)

EU-OPENSCREEN: EOS102517

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)