bmse000420 4-Chlorocatechol at BMRB

4-Chlorocatechol

4-CHLORO-1,2-DIHYDROXYBENZENE; 4-chloropyrocatechol; 4-chlorocatechol; 4-Chlorocatechol; 1,2-Benzenediol, 4-chloro-; 4-chloro-1,2-benzenediol; 4-Chloropyrocatechol; Pyrocatechol, 4-chloro-; 4-chlorobenzene-1,2-diol

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

4-Chlorocatechol

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

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

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

PUBCHEM iupac TRADITIONAL NAME
4-chloropyrocatechol

PubChem Substance (SID):   85165210   5525016   14709688
PubChem Compound (CID):   16496
KEGG: Compound ID   C02375
CAS Registry IDs:   2138-22-9
PDB Chemical Component   4CL
Miscellaneous Databases and IDs:   Sigma-Aldrich 148520_ALDRICH   ChEBI CHEBI:27772   ChemIDplus 002138229   ChemSpider 15638   EINECS 218-381-9   NMRShiftDB 20111971   NIST 1417701069   EPA DSSTox 2176   UM-BBD c0296   Beilstein Handbook Reference 4-06-00-05614   ChemDB 3969808

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.