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4-Chloro-3-fluoropyridine HCl
4-Chloro-3-fluoropyridine HCl ID: B184551
CAS:119229-74-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Cl)ccnc1)F.Cl	
FORMULA: C5H4Cl2FN
MASS: 167.9964
EXACT MASS: 166.9704827
INTERATOMIC DISTANCES

              C   1      C   2      N   3      F   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7411     0.0000 
   N   3    1.2879     1.4875     0.0000 
   F   4    0.7468     1.2875     1.9705     0.0000 
  Cl   5    1.2885     0.7417     2.2292     1.4910     0.0000 
   C   6    1.2875     0.7447     1.2900     1.9693     1.2822     0.0000 
   C   7    0.7417     1.2843     0.7432     1.2900     1.9648     1.4859 
  Cl   8    2.6508     3.3438     3.3743     2.1003     3.5759     3.9326 
   C   9    1.4859     1.2864     0.7468     2.2326     1.9607     0.7417 
   H  10    1.9119     2.6177     2.6565     1.4153     2.9062     3.1895 

              C   7     Cl   8      C   9      H  10
              --------------------------------------------
   C   7    0.0000 
  Cl   8    2.6694     0.0000 
   C   9    1.2875     3.9451     0.0000 
   H  10    1.9375     0.7458     3.2050     0.0000 



ATOMIC CHARGES
   C   1    0.1696578566
   C   2    0.0881496433
   N   3   -0.2399077621
   F   4   -0.2016329907
  Cl   5   -0.0797979309
   C   6    0.0343411732
   C   7    0.1292793018
  Cl   8   -0.1453996612
   C   9    0.0999107088
   H  10    0.1453996612


BOND ANGLES
   2    1    4  Car  Car    F    119.836
   2    1    7  Car  Car  Car    120.021
   4    1    7    F  Car  Car    120.143
   1    2    5  Car  Car   Cl    120.662
   1    2    6  Car  Car  Car    120.116
   5    2    6   Cl  Car  Car    119.222
   7    3    9  Car  Nar  Car    119.556
   2    6    9  Car  Car  Car    119.863
   1    7    3  Car  Car  Nar    120.301
   3    9    6  Nar  Car  Car    120.143


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