BMRB

Biological Magnetic Resonance Data Bank


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

2,6-dichlorophenol

Graphical representations:

2,6-dichlorophenol image

Molecular Formula: C6 H4 O Cl2

Natural Isotopic Abundance Mass: 163.00136

Mono-Isotopic Molecular Masses:

  • C12N14: 161.9639201705
  • C13N14: 167.9840491973
  • C12N15: 161.9639201705
  • C13N15: 167.9840491973

InCHi String: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

canonical and isomeric SMILES: C1=CC(=C(C(=C1)Cl)O)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,6-dichlorophenol

PubChem Substance (SID):   111677812   48424530   588866
PubChem Compound (CID):   6899
KEGG: Compound ID   C07096
CAS Registry IDs:   87-65-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich D70201_ALDRICH   EPA DSSTox 32893   ChEBI CHEBI:28457   ZINC ZINC00164836   UM-BBD c0329   NMRShiftDB 10015988   NIST Chemistry WebBook 3438749121   MMCD cq_04169   MDL MFCD00002176

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.