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4,6-dichloro-2-(trifluoromethyl)pyrimidin-5-amine
4,6-dichloro-2-(trifluoromethyl)pyrimidin-5-amine
ID: BP-11810
Supplier:BroadPharm

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SMILES:c1(nc(nc(c1N)Cl)C(F)(F)F)Cl	
FORMULA: C5H2Cl2F3N3
MASS: 231.9907
EXACT MASS: 230.9577871
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   N   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.5855     1.0374     0.5979     1.0374     1.5855     1.7979 
   F   8    2.0749     1.5839     1.0356     1.1969     1.7969     2.1599 
   F   9    1.7969     1.1969     1.0356     1.5839     2.0749     2.1599 
   F  10    1.5855     1.1979     0.5979     0.5990     1.1990     1.5859 
  Cl  11    1.5855     1.7980     1.5856     1.0375     0.5980     1.0375 
  Cl  12    0.5979     1.0375     1.5855     1.7979     1.5854     1.0374 
   N  13    1.0374     1.5855     1.7979     1.5855     1.0374     0.5979 

              C   7      F   8      F   9      F  10     Cl  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   F   8    0.5979     0.0000 
   F   9    0.5979     1.0356     0.0000 
   F  10    0.5979     0.5979     1.1958     0.0000 
  Cl  11    2.0749     2.1594     2.6099     1.5856     0.0000 
  Cl  12    2.0749     2.6099     2.1593     2.1593     2.0749     0.0000 
   N  13    2.3958     2.7441     2.7441     2.1599     1.1980     1.1979 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   C   1    0.1588800084
   N   2   -0.2102726711
   C   3    0.2367415273
   N   4   -0.2102726711
   C   5    0.1588800084
   C   6    0.1457538850
   C   7    0.4523322937
   F   8   -0.1631539245
   F   9   -0.1631539245
   F  10   -0.1631539245
  Cl  11   -0.0597614348
  Cl  12   -0.0597614348
   N  13   -0.1230577373


BOND ANGLES
   2    1    6  Nar  Car  Car    120.001
   2    1   12  Nar  Car   Cl    120.004
   6    1   12  Car  Car   Cl    119.995
   1    2    3  Car  Nar  Car    120.001
   2    3    4  Nar  Car  Nar    119.999
   2    3    7  Nar  Car   C3    120.001
   4    3    7  Nar  Car   C3    120.001
   3    4    5  Car  Nar  Car    120.001
   4    5    6  Nar  Car  Car    120.001
   4    5   11  Nar  Car   Cl    119.999
   6    5   11  Car  Car   Cl    120.000
   1    6    5  Car  Car  Car    119.999
   5    6   13  Car  Car  Npl    120.001
   1    6   13  Car  Car  Npl    120.001
   3    7    8  Car   C3    F    120.004
   3    7    9  Car   C3    F    120.004
   3    7   10  Car   C3    F     60.004
   8    7    9    F   C3    F    119.992
   8    7   10    F   C3    F     60.000
   9    7   10    F   C3    F    179.974


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