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: C14H12OCl2

Natural Isotopic Abundance Mass: 267.15048

Mono-Isotopic Molecular Masses:

  • C12N14: 266.0265204273
  • C13N14: 280.0734881565
  • C12N15: 266.0265204273
  • C13N15: 280.0734881565

InChI string: InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2

MDL: MFCD00004728
PubChem Compound (CID): 17533
CAS Registry number: 162011-90-7 2642-82-2
Sigma-Aldrich: 188883_ALDRICH
ChEBI: CHEBI:28410
KEGG Compound ID: C06639
ZINC: ZINC00056492
UM-BBD: c0500
NIST Chemistry WebBook: 1687202470
MMCD: cq_03814

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,