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2,5-dichloropyridin-3-amine
2,5-dichloropyridin-3-amine ID: AN-6344
CAS:78607-32-6
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1ncc(Cl)cc1N	2799999
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    2.0000     3.4641     2.6457     0.0000 
   C   5    1.7320     2.6458     1.7320     1.0000     0.0000 
   C   6    2.6458     1.7320     2.0000     1.7321     1.0001     0.0000 
   C   7    1.0000     3.0000     1.0000     1.7320     1.0000     1.7321 
   C   8    3.0000     1.0000     1.7321     2.6458     1.7321     1.0000 
   C   9    2.6457     1.7321     1.0000     3.0000     2.0000     1.7321 
   H  10    3.1408     1.8397     2.6200     1.8397     1.4158     0.6200 
   H  11    3.1407     1.8397     1.4158     3.6200     2.6200     2.2901 
   H  12    2.6200     3.5191     3.1408     0.6201     1.4158     1.8397 
   H  13    1.7732     4.0130     2.8292     0.6200     1.4158     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7320     1.0001     0.0000 
   H  10    2.2901     1.4158     2.2901     0.0000 
   H  11    2.2901     1.4158     0.6200     2.8059     0.0000 
   H  12    2.2901     2.8292     3.3533     1.7320     3.9665     0.0000 
   H  13    1.8397     3.1408     3.3533     2.4522     3.9665     1.0739 

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



ATOMIC CHARGES
  Cl   1   -0.0600736014
  Cl   2   -0.0819136652
   N   3   -0.2402275158
   N   4   -0.3555985577
   C   5    0.0632892550
   C   6   -0.0182749381
   C   7    0.1497865081
   C   8    0.0608659888
   C   9    0.0476676588
   H  10    0.0651873089
   H  11    0.0844795917
   H  12    0.1424059834
   H  13    0.1424059834


BOND ANGLES
   7    3    9  Car  Nar  Car    120.001
   5    4   12  Car  Npl   HC    119.997
   5    4   13  Car  Npl   HC    120.002
  12    4   13   HC  Npl   HC    120.001
   4    5    6  Npl  Car  Car    119.998
   4    5    7  Npl  Car  Car    120.001
   6    5    7  Car  Car  Car    120.001
   5    6    8  Car  Car  Car    119.998
   5    6   10  Car  Car   HC    120.000
   8    6   10  Car  Car   HC    120.002
   1    7    3   Cl  Car  Nar    120.001
   1    7    5   Cl  Car  Car    119.999
   3    7    5  Nar  Car  Car    120.001
   2    8    6   Cl  Car  Car    120.001
   2    8    9   Cl  Car  Car    120.001
   6    8    9  Car  Car  Car    119.998
   3    9    8  Nar  Car  Car    120.001
   3    9   11  Nar  Car   HC    120.001
   8    9   11  Car  Car   HC    119.998


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