Sign In Join Free

Products Information

Tetrachloro-o-benzoquinone
Tetrachloro-o-benzoquinone ID: API-45735
CAS:2435-53-2
Supplier:APIchem

Get a quote


SMILES:ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl	ChemMol.com
FORMULA: C6Cl4O2
MASS: 245.8750
EXACT MASS: 243.8652400
INTERATOMIC DISTANCES

             Cl   1     Cl   2     Cl   3     Cl   4      O   5      O   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    2.0000     0.0000 
  Cl   3    2.0000     3.4641     0.0000 
  Cl   4    3.4641     2.0000     4.0000     0.0000 
   O   5    3.4641     4.0000     2.0000     3.4641     0.0000 
   O   6    4.0000     3.4641     3.4641     2.0000     2.0000     0.0000 
   C   7    1.0000     1.7321     1.7320     2.6458     2.6458     3.0000 
   C   8    1.7321     1.0000     2.6458     1.7320     3.0000     2.6457 
   C   9    1.7320     2.6458     1.0000     3.0000     1.7321     2.6458 
   C  10    2.6458     1.7320     3.0000     1.0000     2.6457     1.7320 
   C  11    2.6458     3.0000     1.7321     2.6457     1.0000     1.7320 
   C  12    3.0000     2.6457     2.6458     1.7320     1.7320     1.0000 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     2.0000     0.0000 
   C  11    1.7321     2.0000     1.0001     1.7320     0.0000 
   C  12    2.0000     1.7320     1.7321     1.0000     1.0000     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0803461410
  Cl   2   -0.0803461410
  Cl   3   -0.0778812041
  Cl   4   -0.0778812041
   O   5   -0.2821715009
   O   6   -0.2821715009
   C   7    0.0828919846
   C   8    0.0828919846
   C   9    0.1111327123
   C  10    0.1111327123
   C  11    0.2463741490
   C  12    0.2463741490


BOND ANGLES
   1    7    8   Cl   C2   C2    120.001
   1    7    9   Cl   C2   C2    120.001
   8    7    9   C2   C2   C2    119.998
   2    8    7   Cl   C2   C2    119.998
   2    8   10   Cl   C2   C2    120.001
   7    8   10   C2   C2   C2    120.001
   3    9    7   Cl   C2   C2    120.001
   3    9   11   Cl   C2   C2    120.001
   7    9   11   C2   C2   C2    119.998
   4   10    8   Cl   C2   C2    119.999
   4   10   12   Cl   C2   C2    120.001
   8   10   12   C2   C2   C2    120.001
   5   11    9   O2   C2   C2    119.998
   5   11   12   O2   C2   C2    120.001
   9   11   12   C2   C2   C2    120.001
   6   12   10   O2   C2   C2    120.001
   6   12   11   O2   C2   C2    119.999
  10   12   11   C2   C2   C2    120.001


TORSION ANGLES
   1    7    8    2      0.026
   1    7    8   10    179.974
   9    7    8    2    179.974
   9    7    8   10      0.026
   1    7    9    3      0.026
   1    7    9   11    179.974
   8    7    9    3    179.974
   8    7    9   11      0.026
   2    8   10    4      0.026
   2    8   10   12    179.974
   7    8   10    4    179.974
   7    8   10   12      0.026
   3    9   11    5      0.026
   3    9   11   12    179.974
   7    9   11    5    179.974
   7    9   11   12      0.026
   4   10   12    6      0.026
   4   10   12   11    179.974
   8   10   12    6    179.974
   8   10   12   11      0.026
   5   11   12    6      0.026
   5   11   12   10    179.974
   9   11   12    6    179.974
   9   11   12   10      0.026