BMRB

Biological Magnetic Resonance Data Bank


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

5-bromo-2-methoxyphenol

5-bromo-2-methoxyphenol bmse012229 - Data

5-bromo-2-methoxyphenol synonyms

Wikipedia:

Graphical representations:

5-bromo-2-methoxyphenol

View large 3D structure

Molecular Formula: C7H7BrO2

Natural Isotopic Abundance Mass: 203.03328000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 201.962941464
  • C13N14: 208.98642533
  • C12N15: 201.962941464
  • C13N15: 208.98642533

InChI string: InChI=1S/C7H7BrO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3

IUPAC: b'5-bromo-2-methoxyphenol'

BMRB Ligand Expo: F9G
EU-OPENSCREEN: EOS102965

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)