Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5_acetylamido_2_chloroaniline synonyms



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Molecular Formula: C8H9N2OCl

Natural Isotopic Abundance Mass: 184.6228600000

Mono-Isotopic Molecular Masses:

  • C12N14: 184.040340631
  • C13N14: 192.067179334
  • C12N15: 186.034410418
  • C13N15: 192.067179334

InChI string: InChI=1/C8H9ClN2O/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)/f/h11H

IUPAC: N-(3-amino-4-chloro-phenyl)acetamide

PubChem Compound (CID): 103996
CAS Registry number: 51867-83-5
EINECS: 257-485-9

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,