BMRB

Biological Magnetic Resonance Data Bank


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

4-(4-bromophenyl)-1H-pyrazole

4-(4-bromophenyl)-1H-pyrazole bmse012085 - Data

4-(4-bromophenyl)-1H-pyrazole synonyms

Wikipedia:

Graphical representations:

4-(4-bromophenyl)-1H-pyrazole

View large 3D structure

Molecular Formula: C9H7BrN2

Natural Isotopic Abundance Mass: 223.06927999999996

Mono-Isotopic Molecular Masses:

  • C12N14: 221.979260234
  • C13N14: 231.00945377600002
  • C12N15: 223.97333002000002
  • C13N15: 233.00352356200003

InChI string: InChI=1S/C9H7BrN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12)

IUPAC: b'4-(4-bromophenyl)-1H-pyrazole'

EU-OPENSCREEN: EOS102807

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)