BMRB

Biological Magnetic Resonance Data Bank


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

3,5-dichlorocatechol

Graphical representations:

3,5-dichlorocatechol 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:

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3,5-dichlorobenzene-1,2-diol

PUBCHEM iupac TRADITIONAL NAME
3,5-dichloropyrocatechol

PubChem Substance (SID):   85165136   8145128   5854
PubChem Compound (CID):   26173
KEGG: Compound ID   C02933
CAS Registry IDs:   13673-92-2
PDB Chemical Component   35C   AFP   BFP   FBP   F6P   P6P   TA6
Miscellaneous Databases and IDs:   CCRIS 4063   ChemIDplus 013673922   ChEBI CHEBI:15788   ChemSpider 24384   NIST 1602735183   Sigma-Aldrich 545899_ALDRICH   UM-BBD c0290

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.