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6-Chloro-2-picoline
6-Chloro-2-picoline ID: B187196
CAS:18368-63-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(Cl)cccc1C	
FORMULA: C6H6ClN
MASS: 127.5715
EXACT MASS: 127.0188769
INTERATOMIC DISTANCES

              N   1      C   2      C   3     Cl   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7463     0.0000 
   C   3    0.7463     1.3000     0.0000 
  Cl   4    1.3000     0.7463     1.9842     0.0000 
   C   5    1.4917     1.2993     1.2993     1.9787     0.0000 
   C   6    1.2921     0.7500     1.5008     1.2921     0.7504     0.0000 
   C   7    1.2921     1.5008     0.7500     2.2471     0.7504     1.3000 
   C   8    1.2958     1.9816     0.7468     2.5958     1.9822     2.2476 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2972     0.0000 



ATOMIC CHARGES
   N   1   -0.2382564494
   C   2    0.1379287557
   C   3    0.0603195047
  Cl   4   -0.0613498394
   C   5    0.0036479458
   C   6    0.0307800192
   C   7    0.0148081533
   C   8    0.0521219101


BOND ANGLES
   2    1    3  Car  Nar  Car    121.141
   1    2    4  Nar  Car   Cl    121.141
   1    2    6  Nar  Car  Car    119.430
   4    2    6   Cl  Car  Car    119.430
   1    3    7  Nar  Car  Car    119.430
   1    3    8  Nar  Car   C3    120.428
   7    3    8  Car  Car   C3    120.143
   6    5    7  Car  Car  Car    120.037
   2    6    5  Car  Car  Car    119.982
   3    7    5  Car  Car  Car    119.982


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