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4-Chloro-2-picoline HCl
4-Chloro-2-picoline HCl ID: B184554
CAS:3678-63-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(cc(cc1)Cl)C.Cl	
FORMULA: C6H7Cl2N
MASS: 164.0325
EXACT MASS: 162.9955546
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2900     0.0000 
   C   3    0.7468     0.7417     0.0000 
   C   4    1.4875     0.7447     1.2864     0.0000 
   C   5    0.7432     1.4859     1.2875     1.2843     0.0000 
   C   6    1.2879     1.2875     1.4859     0.7411     0.7417     0.0000 
  Cl   7    2.2292     1.2885     1.9648     0.7417     1.9607     1.2822 
  Cl   8    3.5075     2.6792     2.7800     3.3456     4.0354     3.9667 
   C   9    1.2875     1.2879     0.7432     1.9673     1.9653     2.2291 
   H  10    2.8182     1.9417     2.0785     2.6139     3.3133     3.2292 

             Cl   7     Cl   8      C   9      H  10
              --------------------------------------------
  Cl   7    0.0000 
  Cl   8    3.5102     0.0000 
   C   9    2.5764     2.3235     0.0000 
   H  10    2.8204     0.7375     1.7138     0.0000 



ATOMIC CHARGES
   N   1   -0.2480841264
   C   2    0.0261378779
   C   3    0.0602336722
   C   4    0.0603907718
   C   5    0.0993143876
   C   6    0.0320438360
  Cl   7   -0.0821539720
  Cl   8   -0.1453996612
   C   9    0.0521175528
   H  10    0.1453996612


BOND ANGLES
   3    1    5  Car  Nar  Car    119.556
   3    2    4  Car  Car  Car    119.863
   1    3    2  Nar  Car  Car    120.143
   2    3    9  Car  Car   C3    120.301
   1    3    9  Nar  Car   C3    119.556
   6    4    7  Car  Car   Cl    119.697
   2    4    6  Car  Car  Car    120.116
   2    4    7  Car  Car   Cl    120.188
   1    5    6  Nar  Car  Car    120.301
   4    6    5  Car  Car  Car    120.021


TORSION ANGLES
   4    2    3    1      0.026
   4    2    3    9    179.974
   2    3    1    5      0.026
   9    3    1    5    179.974
   7    4    6    5    179.974
   2    4    6    5      0.026
   6    5    1    3      0.026
   4    6    5    1      0.026
   3    2    4    6      0.026
   3    2    4    7    179.974