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3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
3-chloro-2-fluoro-5-(trifluoromethyl)pyridine ID: B204107
CAS:72537-17-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cnc(c(c1)Cl)F)C(F)(F)F	
FORMULA: C6H2ClF4N
MASS: 199.5334
EXACT MASS: 198.9811896
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5416     0.0000 
   N   3    0.9390     0.5432     0.0000 
   C   4    1.0827     0.9375     0.5396     0.0000 
   C   5    0.9375     1.0827     0.9370     0.5416     0.0000 
   C   6    0.5411     0.9354     1.0792     0.9334     0.5375     0.0000 
   F   7    1.6223     1.4301     0.9334     0.5396     0.9370     1.4269 
  Cl   8    1.3702     1.6067     1.4614     0.9958     0.5363     0.8533 
   C   9    0.5375     0.9334     1.4295     1.6202     1.4293     0.9375 
   F  10    0.8519     1.3683     1.7870     1.8331     1.4880     0.9511 
   F  11    1.0770     1.4267     1.9478     2.1597     1.9465     1.4300 
   F  12    0.9959     1.1938     1.7359     2.0385     1.9293     1.4648 

              F   7     Cl   8      C   9      F  10      F  11      F  12
              ------------------------------------------------------------------
   F   7    0.0000 
  Cl   8    1.1949     0.0000 
   C   9    2.1598     1.7869     0.0000 
   F  10    2.3559     1.6917     0.5397     0.0000 
   F  11    2.6993     2.2556     0.5395     0.6577     0.0000 
   F  12    2.5704     2.3177     0.5386     0.9340     0.4119     0.0000 




ATOMIC CHARGES
   C   1    0.0915185107
   C   2    0.1051734099
   N   3   -0.2158030178
   C   4    0.2328525935
   C   5    0.1034568584
   C   6    0.0206913035
   F   7   -0.1822874688
  Cl   8   -0.0782529725
   C   9    0.4200487906
   F  10   -0.1657993358
   F  11   -0.1657993358
   F  12   -0.1657993358


BOND ANGLES
   2    1    6  Car  Car  Car    119.531
   2    1    9  Car  Car   C3    119.746
   6    1    9  Car  Car   C3    120.723
   1    2    3  Car  Car  Nar    119.916
   2    3    4  Car  Nar  Car    119.950
   3    4    5  Nar  Car  Car    120.133
   3    4    7  Nar  Car    F    119.733
   5    4    7  Car  Car    F    120.133
   4    5    6  Car  Car  Car    119.746
   4    5    8  Car  Car   Cl    135.000
   6    5    8  Car  Car   Cl    105.254
   1    6    5  Car  Car  Car    120.723
   1    9   10  Car   C3    F    104.526
   1    9   11  Car   C3    F    179.617
   1    9   12  Car   C3    F    135.464
  10    9   11    F   C3    F     75.091
  10    9   12    F   C3    F    120.010
  11    9   12    F   C3    F     44.919


TORSION ANGLES
   6    1    2    3      0.026
   9    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5    8    179.974
   7    4    5    6    179.974
   7    4    5    8      0.026
   4    5    6    1      0.026
   8    5    6    1    179.974
   5    6    1    2      0.026
   5    6    1    9    179.974
   2    1    9   10    179.974
   2    1    9   11    179.974
   2    1    9   12      0.026
   6    1    9   10      0.026
   6    1    9   11      0.026
   6    1    9   12    179.974