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2-Bromo-5-chloro-3-picoline
2-Bromo-5-chloro-3-picoline ID: B184518
CAS:65550-77-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)Cl)C)Br	
FORMULA: C6H5BrClN
MASS: 206.4676
EXACT MASS: 204.9293888
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7426     0.0000 
   C   3    1.2864     0.7458     0.0000 
   C   4    1.4875     1.2935     0.7468     0.0000 
   C   5    0.7391     1.2875     1.4879     1.2915     0.0000 
   C   6    1.2843     1.4879     1.2875     0.7432     0.7458     0.0000 
  Br   7    1.2875     0.7391     1.2843     1.9673     1.9637     2.2270 
  Cl   8    1.9610     2.2305     1.9678     1.2875     1.2864     0.7426 
   C   9    1.9673     1.2915     0.7432     1.2875     2.2311     1.9653 

             Br   7     Cl   8      C   9
              ---------------------------------
  Br   7    0.0000 
  Cl   8    2.9696     0.0000 
   C   9    1.4875     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2365775243
   C   2    0.1114449761
   C   3    0.0030300788
   C   4    0.0106981746
   C   5    0.1107178474
   C   6    0.0765220222
  Br   7   -0.0283701796
  Cl   8   -0.0806321933
   C   9    0.0331667981


BOND ANGLES
   2    1    5  Car  Nar  Car    120.665
   1    2    3  Nar  Car  Car    119.589
   1    2    7  Nar  Car   Br    120.665
   3    2    7  Car  Car   Br    119.746
   2    3    9  Car  Car   C3    120.301
   2    3    4  Car  Car  Car    120.143
   4    3    9  Car  Car   C3    119.556
   3    4    6  Car  Car  Car    119.556
   1    5    6  Nar  Car  Car    119.746
   4    6    5  Car  Car  Car    120.301
   4    6    8  Car  Car   Cl    120.110
   5    6    8  Car  Car   Cl    119.589


TORSION ANGLES
   3    2    1    5      0.026
   7    2    1    5    179.974
   9    3    2    1    179.974
   9    3    2    7      0.026
   4    3    2    1      0.026
   4    3    2    7    179.974
   3    4    6    5      0.026
   3    4    6    8    179.974
   6    5    1    2      0.026
   4    6    5    1      0.026
   8    6    5    1    179.974
   2    3    4    6      0.026
   9    3    4    6    179.974