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5-Bromo-2-chloro-3-fluoropyridine
5-Bromo-2-chloro-3-fluoropyridine ID: B184514
CAS:831203-13-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)Br)F)Cl	
FORMULA: C5H2BrClFN
MASS: 210.4315
EXACT MASS: 208.9043170
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    1.2843     1.4879     1.2875     0.7432     0.0000 
   C   6    0.7391     1.2875     1.4879     1.2915     0.7458     0.0000 
  Cl   7    1.2875     0.7391     1.2843     1.9673     2.2270     1.9637 
   F   8    1.9673     1.2915     0.7432     1.2875     1.9653     2.2311 
  Br   9    1.9610     2.2305     1.9678     1.2875     0.7426     1.2864 

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



ATOMIC CHARGES
   N   1   -0.2296180277
   C   2    0.1656137401
   C   3    0.1688998973
   C   4    0.0403488841
   C   5    0.0560093029
   C   6    0.1066322489
  Cl   7   -0.0589352711
   F   8   -0.2016431913
  Br   9   -0.0473075832


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


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