BMRB

Biological Magnetic Resonance Data Bank


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

Chlorohydroquinone

Graphical representations:

chlorohydroquinone image

Molecular Formula: C6 H5 O2 Cl

Natural Isotopic Abundance Mass: 144.5557

Mono-Isotopic Molecular Masses:

  • C12N14: 143.9978071147
  • C13N14: 150.0179361415
  • C12N15: 143.9978071147
  • C13N15: 150.0179361415

InCHi String: InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H

canonical and isomeric SMILES: C1=CC(=C(C=C1O)Cl)O

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

PUBCHEM iupac TRADITIONAL NAME
2-chlorohydroquinone

PubChem Substance (SID):   85165155   155319   8827
PubChem Compound (CID):   301
KEGG: Compound ID   C06601
CAS Registry IDs:   140627-31-2   68103-34-4   134900-92-8   615-67-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 45384_RIEDEL   ChEBI CHEBI:27675   HSDB 2766   ChemIDplus 000615678   ChemSpider 295   EINECS 210-442-8   NMRShiftDB 20025921   ZINC ZINC00404794   UM-BBD c0544   Beilstein Handbook Reference 4-06-00-05767   ChemDB 6682534   NIST Chemistry WebBook 454627879

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.