BMRB

Biological Magnetic Resonance Data Bank


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

2,4-dichlorophenol

Graphical representations:

2,4-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:

canonical and isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,4-dichlorophenol

PubChem Substance (SID):   111677829   56310660   53788255
PubChem Compound (CID):   8449
KEGG: Compound ID   C004762
CAS Registry IDs:   120-83-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 105953_ALDRICH   EPA DSSTox 43005   Comparative Toxicogenomics Database C004762   MMCD cq_01602   MDL MFCD00002169

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.