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3-chloropyrazin-2-amine
3-chloropyrazin-2-amine
ID: Cs00338
CAS:6863-73-6
Supplier:Clousem

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SMILES:c1cnc(c(n1)Cl)N	
FORMULA: C4H4ClN3
MASS: 129.5477
EXACT MASS: 129.0093748
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   N   3    2.6380     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6380     1.5231     0.0000 
   N   6    1.5229     2.6379     3.0460     2.6379     1.5230     0.0000 
  Cl   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   N   8    4.5691     4.0295     2.6380     1.5230     2.6380     4.0295 

             Cl   7      N   8
              ----------------------
  Cl   7    0.0000 
   N   8    3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.1205903341
   C   2    0.1211205500
   N   3   -0.2223106396
   C   4    0.1983826984
   C   5    0.1729718563
   N   6   -0.2278839401
  Cl   7   -0.0582361061
   N   8   -0.1046347529


BOND ANGLES
   2    1    6  Car  Car  Nar    119.998
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    8  Nar  Car  Npl    120.002
   5    4    8  Car  Car  Npl    119.999
   4    5    6  Car  Car  Nar    119.996
   4    5    7  Car  Car   Cl    119.996
   6    5    7  Nar  Car   Cl    120.008
   1    6    5  Car  Nar  Car    120.006


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    8    179.974
   3    4    5    6      0.026
   3    4    5    7    179.974
   8    4    5    6    179.974
   8    4    5    7      0.026
   4    5    6    1      0.026
   7    5    6    1    179.974
   5    6    1    2      0.026