BMRB

Biological Magnetic Resonance Data Bank


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

3-bromo-5-chloroaniline

3-bromo-5-chloroaniline bmse012461 - Data

3-bromo-5-chloroaniline synonyms

Wikipedia:

Graphical representations:

3-bromo-5-chloroaniline

View large 3D structure

Molecular Formula: C6H5BrClN

Natural Isotopic Abundance Mass: 206.4676

Mono-Isotopic Molecular Masses:

  • C12N14: 204.92938884499998
  • C13N14: 210.94951787300002
  • C12N15: 205.92642373799998
  • C13N15: 211.94655276600002

InChI string: InChI=1S/C6H5BrClN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

IUPAC: b'3-bromo-5-chloroaniline'

EU-OPENSCREEN: EOS103223

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)