BMRB

Biological Magnetic Resonance Data Bank


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

2,5-dichlorohydroquinone

Graphical representations:

2,5-dichlorohydroquinone image

Molecular Formula: C6 H4 O2 Cl2

Natural Isotopic Abundance Mass: 179.00076

Mono-Isotopic Molecular Masses:

  • C12N14: 177.9588347926
  • C13N14: 183.9789638194
  • C12N15: 177.9588347926
  • C13N15: 183.9789638194

InCHi String: InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,5-dichlorobenzene-1,4-diol

PUBCHEM iupac TRADITIONAL NAME
2,5-dichlorohydroquinone

PubChem Substance (SID):   111677799   77705475   24438446
PubChem Compound (CID):   65
KEGG: Compound ID   n/a
CAS Registry IDs:   824-69-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 480487_ALDRICH   ChemSpider 64   ZINC ZINC00403237   NextBio 65   UM-BBD c0364   NIST Chemistry WebBook 687497401   MMCD cq_03775   MDL MFCD00041749

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.