BMRB

Biological Magnetic Resonance Data Bank


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

2-chlorophenol

2-chlorophenol bmse012563 - Data

2-chlorophenol synonyms

Wikipedia:

Graphical representations:

2-chlorophenol

View large 3D structure

Molecular Formula: C6H5ClO

Natural Isotopic Abundance Mass: 128.5563

Mono-Isotopic Molecular Masses:

  • C12N14: 128.00289246
  • C13N14: 134.023021488
  • C12N15: 128.00289246
  • C13N15: 134.023021488

InChI string: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H

IUPAC: b'2-Chlorophenol'

BMRB Ligand Expo: 2CH
EU-OPENSCREEN: EOS103356

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)