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3-Bromo-2-chloro-5-picoline
3-Bromo-2-chloro-5-picoline ID: B184519
CAS:17282-03-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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

              N   1      C   2      C   3      C   4      C   5     Cl   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 
  Cl   6    1.2875     0.7391     1.2843     1.9673     1.9637     0.0000 
  Br   7    1.9673     1.2915     0.7432     1.2875     2.2311     1.4875 
   C   8    1.2843     1.4879     1.2875     0.7432     0.7458     2.2270 
   C   9    1.9610     2.2305     1.9678     1.2875     1.2864     2.9696 

             Br   7      C   8      C   9
              ---------------------------------
  Br   7    0.0000 
   C   8    1.9653     0.0000 
   C   9    2.5750     0.7426     0.0000 



ATOMIC CHARGES
   N   1   -0.2322609907
   C   2    0.1444406725
   C   3    0.0626941500
   C   4    0.0063608834
   C   5    0.0955779593
  Cl   6   -0.0608111364
  Br   7   -0.0465366673
   C   8   -0.0021384247
   C   9    0.0326735540


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


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