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4-Methyl-3,6-dichloropyridazine
4-Methyl-3,6-dichloropyridazine ID: API-9408
CAS:19064-64-3
Supplier:APIchem

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SMILES:Clc1nnc(Cl)cc1C	ChemMol.com
FORMULA: C5H4Cl2N2
MASS: 163.0047
EXACT MASS: 161.9751535
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    4.0000     0.0000 
   N   3    1.7320     2.6458     0.0000 
   N   4    2.6458     1.7320     1.0001     0.0000 
   C   5    1.7320     2.6458     1.7320     2.0000     0.0000 
   C   6    2.6457     1.7321     2.0000     1.7321     1.0000     0.0000 
   C   7    2.0000     3.4641     2.6457     3.0000     1.0000     1.7320 
   C   8    1.0000     3.0000     1.0000     1.7321     1.0000     1.7320 
   C   9    3.0000     1.0000     1.7321     1.0000     1.7321     1.0001 
   H  10    3.1407     1.8397     2.6200     2.2901     1.4158     0.6200 
   H  11    2.5558     3.1995     2.9083     3.0634     1.1766     1.5200 
   H  12    2.3716     4.0130     3.2379     3.6200     1.6199     2.2900 
   H  13    1.4956     3.8121     2.5121     3.0634     1.1766     2.1114 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.6458     2.0000     0.0000 
   H  10    1.8396     2.2901     1.4158     0.0000 
   H  11    0.6200     2.1114     2.5121     1.4244     0.0000 
   H  12    0.6200     2.2900     3.2380     2.2900     0.8768     0.0000 
   H  13    0.6200     1.5200     2.9083     2.3470     1.2399     0.8768 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
  Cl   1   -0.0598269067
  Cl   2   -0.0600986659
   N   3   -0.1359698820
   N   4   -0.1362238189
   C   5   -0.0089606463
   C   6   -0.0172141220
   C   7   -0.0366956431
   C   8    0.1544512324
   C   9    0.1518214724
   H  10    0.0651768793
   H  11    0.0278467003
   H  12    0.0278467003
   H  13    0.0278467003


BOND ANGLES
   4    3    8  Nar  Nar  Car    120.001
   3    4    9  Nar  Nar  Car    119.998
   6    5    7  Car  Car   C3    119.999
   6    5    8  Car  Car  Car    120.001
   7    5    8   C3  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   5    6   10  Car  Car   HC    120.001
   9    6   10  Car  Car   HC    119.998
   5    7   11  Car   C3   HC     89.999
   5    7   12  Car   C3   HC    179.974
   5    7   13  Car   C3   HC     90.001
  11    7   12   HC   C3   HC     90.000
  11    7   13   HC   C3   HC    179.974
  12    7   13   HC   C3   HC     90.000
   1    8    3   Cl  Car  Nar    119.999
   1    8    5   Cl  Car  Car    120.001
   3    8    5  Nar  Car  Car    120.001
   2    9    4   Cl  Car  Nar    120.001
   2    9    6   Cl  Car  Car    120.001
   4    9    6  Nar  Car  Car    119.998


TORSION ANGLES
   8    3    4    9      0.026
   4    3    8    1    179.974
   4    3    8    5      0.026
   3    4    9    2    179.974
   3    4    9    6      0.026
   7    5    6    9    179.974
   7    5    6   10      0.026
   8    5    6    9      0.026
   8    5    6   10    179.974
   6    5    7   11      0.026
   6    5    7   12      0.026
   6    5    7   13    179.974
   8    5    7   11    179.974
   8    5    7   12    179.974
   8    5    7   13      0.026
   6    5    8    1    179.974
   6    5    8    3      0.026
   7    5    8    1      0.026
   7    5    8    3    179.974
   5    6    9    2    179.974
   5    6    9    4      0.026
  10    6    9    2      0.026
  10    6    9    4    179.974