Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C3H4Cl2

Natural Isotopic Abundance Mass: 110.96986

Mono-Isotopic Molecular Masses:

  • C12N14: 109.9690055484
  • C13N14: 112.9790700618
  • C12N15: 109.9690055484
  • C13N15: 112.9790700618

InChI string: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-

CAS Registry number: 10061-01-5
ChEBI: CHEBI:18809
KEGG Compound ID: C06610
MDL: MFCD00062949
MMCD: cq_03785
NIST Chemistry WebBook: 1566011869
PubChem Compound (CID): 5280970
Sigma-Aldrich: 377414_ALDRICH

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,