-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.5458   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0708    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.9958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -0.9708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.9958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
  3  5  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <ID> (BBL000527)
BBL000527

>  <Rotatable_Bonds> (BBL000527)
0

>  <logP> (BBL000527)
3.557

>  <PSA> (BBL000527)
43.37

>  <H_Donors> (BBL000527)
0

>  <H_Acceptors> (BBL000527)
3

>  <Number_of_rings> (BBL000527)
2

>  <NAME> (BBL000527)
4,5,6,7-tetrachloro-2-benzofuran-1,3-dione

>  <Mol_Weight> (BBL000527)
285.90

>  <Mol_Formula> (BBL000527)
C8Cl4O3

>  <Smiles> (BBL000527)
O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl

>  <CAS_Number> (BBL000527)
117-08-8

>  <Alternative_identifier> (BBL000527)
MFCD00005920

$$$$