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6-(trifluoromethyl)quinoline
6-(trifluoromethyl)quinoline ID: B187287
CAS:325-13-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(c1cc2c(nccc2)cc1)(F)(F)F	
FORMULA: C10H6F3N
MASS: 197.1565
EXACT MASS: 197.0452339
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7456     0.0000 
   C   3    1.2885     0.7456     0.0000 
   C   4    1.9679     1.2883     0.7433     0.0000 
   N   5    2.9759     2.2304     1.9639     1.2826     0.0000 
   C   6    2.2406     1.4950     1.2919     0.7419     0.7354     0.0000 
   C   7    1.2991     0.7504     1.2950     1.4895     1.9673     1.2963 
   F   8    0.7377     1.2919     1.4950     2.2383     3.4116     2.6930 
   F   9    0.7456     1.2885     1.9688     2.5768     3.4109     2.6919 
   F  10    0.7459     1.4740     2.0228     2.7135     3.6955     2.9616 
   C  11    1.9763     1.2919     1.4882     1.2835     1.2838     0.7456 
   C  12    3.4070     2.6801     2.2269     1.4836     0.7419     1.2797 
   C  13    2.5765     1.9707     1.2880     0.7495     1.4883     1.2906 
   C  14    3.2392     2.5761     1.9633     1.2878     1.2928     1.4861 

              C   7      F   8      F   9      F  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   F   8    1.9768     0.0000 
   F   9    1.4946     1.2800     0.0000 
   F  10    1.8857     0.9175     0.5453     0.0000 
   C  11    0.7460     2.5838     2.2406     2.6156     0.0000 
   C  12    2.5761     3.7219     3.9360     4.1493     1.9625     0.0000 
   C  13    2.2390     2.6880     3.2439     3.3076     1.9698     1.2880 
   C  14    2.6862     3.4103     3.8645     3.9812     2.2317     0.7504 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7390     0.0000 



ATOMIC CHARGES
   C   1    0.4185792325
   C   2    0.0715171106
   C   3    0.0053478803
   C   4    0.0176495240
   N   5   -0.2438380802
   C   6    0.0812929647
   C   7    0.0053953895
   F   8   -0.1658577782
   F   9   -0.1658577782
   F  10   -0.1658577782
   C  11    0.0190404554
   C  12    0.0988264724
   C  13    0.0030833748
   C  14    0.0206790106


BOND ANGLES
   2    1    8  Car   C3    F    121.148
   2    1    9  Car   C3    F    119.556
   2    1   10  Car   C3    F    162.448
   8    1    9    F   C3    F    119.296
   8    1   10    F   C3    F     76.404
   9    1   10    F   C3    F     42.892
   1    2    3   C3  Car  Car    119.556
   1    2    7   C3  Car  Car    120.536
   3    2    7  Car  Car  Car    119.908
   2    3    4  Car  Car  Car    119.830
   3    4   13  Car  Car  Car    119.269
   3    4    6  Car  Car  Car    120.882
   6    4   13  Car  Car  Car    119.848
   6    5   12  Car  Nar  Car    120.054
   5    6   11  Nar  Car  Car    120.203
   4    6    5  Car  Car  Nar    120.509
   4    6   11  Car  Car  Car    119.288
   2    7   11  Car  Car  Car    119.384
   6   11    7  Car  Car  Car    120.709
   5   12   14  Nar  Car  Car    120.056
   4   13   14  Car  Car  Car    119.814
  12   14   13  Car  Car  Car    119.718


TORSION ANGLES
   3    2    1    8      0.026
   3    2    1    9    179.974
   3    2    1   10    179.974
   7    2    1    8    179.974
   7    2    1    9      0.026
   7    2    1   10      0.026
   4    3    2    1    179.974
   4    3    2    7      0.026
  13    4    3    2    179.974
   6    4    3    2      0.026
  12    5    6   11    179.974
  12    5    6    4      0.026
   5    6   11    7    179.974
   4    6   11    7      0.026
  11    7    2    1    179.974
  11    7    2    3      0.026
   6   11    7    2      0.026
  14   12    5    6      0.026
  14   13    4    3    179.974
  14   13    4    6      0.026
  12   14   13    4      0.026
   3    4    6    5    179.974
   3    4    6   11      0.026
  13    4    6    5      0.026
  13    4    6   11    179.974
   5   12   14   13      0.026