Molecular Formula: C6H6BrN3O
Natural Isotopic Abundance Mass: 216.03534000000002
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C6H6BrN3O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,8,10)(H2,9,11)
EU-OPENSCREEN: EOS103092Reference 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)