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-amino-4-chlorophenol

2-amino-4-chlorophenol bmse011976 - Data

2-amino-4-chlorophenol synonyms

Wikipedia:

Graphical representations:

2-amino-4-chlorophenol

View large 3D structure

Molecular Formula: C6H6ClNO

Natural Isotopic Abundance Mass: 143.57093999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 143.013791497
  • C13N14: 149.033920525
  • C12N15: 144.01082639
  • C13N15: 150.03095541800002

InChI string: InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2

IUPAC: b'2-Amino-4-chlorophenol'

EU-OPENSCREEN: EOS102689

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)