Marvin  09280611462D          

 10 10  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  3  2  0  0  0  0
  4  7  2  0  0  0  0
  7  2  1  0  0  0  0
  2  5  2  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <ID>
CHEBI:36697

> <NAME>
1,2,4,5-tetrachlorobenzene

> <DEFINITION>
A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.

> <STAR>
3

> <SYNONYM>
s-tetrachlorobenzene; 1,2,4,5-Tetrachlorbenzol

> <IUPAC_NAME>
1,2,4,5-tetrachlorobenzene

> <FORMULA>
C6H2Cl4

> <MASS>
215.89088

> <MONOISOTOPIC_MASS>
213.89106

> <CHARGE>
0

> <SMILES>
Clc1cc(Cl)c(Cl)cc1Cl

> <INCHI>
InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

> <INCHIKEY>
JHBKHLUZVFWLAG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
95-94-3

> <GMELIN_REGISTRY_NUMBER>
1925561

> <REAXYS_REGISTRY_NUMBER>
1618315

> <CHEMIDPLUS>
95-94-3

> <METACYC_ACCESSION>
CPD-10620

> <NIST_CHEMISTRY_WEBBOOK>
95-94-3

> <PUBMED_CITATION>
12209161

$$$$