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[4-(trifluoromethyl)-2-thienyl]hydrazine hydrochloride
[4-(trifluoromethyl)-2-thienyl]hydrazine hydrochloride ID: AN-31192
CAS:162258-86-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.s1c(NN)cc(c1)C(F)(F)F	53446362
FORMULA: C5H6ClF3N2S
MASS: 218.6277
EXACT MASS: 217.9892315
INTERATOMIC DISTANCES

             Cl   1      S   2      F   3      F   4      F   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   S   2    3.6182     0.0000 
   F   3    6.9366     3.5740     0.0000 
   F   4    5.6450     2.5876     1.4142     0.0000 
   F   5    6.5508     2.9489     1.4142     2.0000     0.0000 
   N   6    4.3450     1.7820     4.4819     3.9455     3.3491     0.0000 
   N   7    3.6147     2.0886     5.3053     4.5810     4.2733     1.0000 
   C   8    5.1637     1.6181     2.0000     1.4142     1.4142     2.5876 
   C   9    5.1964     1.6181     2.7113     2.4070     1.5992     1.7821 
   C  10    4.3144     1.0000     3.5740     2.9488     2.5877     1.0000 
   C  11    4.2504     1.0000     2.7113     1.5992     2.4070     2.5876 
   C  12    6.0324     2.5877     1.0000     1.0000     1.0000     3.5202 
   H  13    5.7485     2.2160     2.7745     2.7754     1.4520     1.9763 
   H  14    4.1945     1.4537     2.7746     1.4520     2.7755     3.1610 
   H  15    4.9267     2.3266     4.6097     4.2535     3.3578     0.6200 
   H  16    3.8541     2.7083     5.8570     5.1836     4.7632     1.4157 
   H  17    3.0103     1.8743     5.3266     4.4552     4.4262     1.4158 
   H  18    1.0000     3.7084     7.2200     6.0267     6.6432     4.0025 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    3.3318     0.0000 
   C   9    2.6767     1.0000     0.0000 
   C  10    1.7320     1.6180     1.0000     0.0000 
   C  11    3.0608     1.0000     1.6180     1.6180     0.0000 
   C  12    4.3155     1.0000     1.7820     2.5876     1.7820     0.0000 
   H  13    2.9537     1.4537     0.6200     1.4538     2.2160     1.9763 
   H  14    3.5405     1.4538     2.2160     2.2160     0.6200     1.9763 
   H  15    1.4158     2.8491     1.9172     1.4158     3.0317     3.6991 
   H  16    0.6200     3.9055     3.1840     2.2900     3.6770     4.8763 
   H  17    0.6201     3.3268     2.8378     1.8396     2.8743     4.3267 
   H  18    3.1290     5.3221     5.1637     4.2021     4.5105     6.2631 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.7974     0.0000 
   H  15    1.9115     3.6317     0.0000 
   H  16    3.3853     4.1604     1.6200     0.0000 
   H  17    3.2195     3.2750     1.9436     1.0739     0.0000 
   H  18    5.6548     4.5883     4.5267     3.2248     2.5900     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1453996612
   S   2   -0.0805586446
   F   3   -0.1658827734
   F   4   -0.1658827734
   F   5   -0.1658827734
   N   6   -0.2770995065
   N   7   -0.2561020072
   C   8    0.0636424644
   C   9   -0.0207094196
   C  10    0.0794087152
   C  11   -0.0108672000
   C  12    0.4179689698
   H  13    0.0647363863
   H  14    0.0699327349
   H  15    0.1664980827
   H  16    0.1403988724
   H  17    0.1403988724
   H  18    0.1453996612


BOND ANGLES
  10    2   11  Car   S2  Car    107.997
   7    6   10   N3  Npl  Car    119.998
   7    6   15   N3  Npl   HC    120.006
  10    6   15  Car  Npl   HC    119.996
   6    7   16  Npl   N3   HC    120.002
   6    7   17  Npl   N3   HC    120.000
  16    7   17   HC   N3   HC    119.998
   9    8   11  Car  Car  Car    107.998
   9    8   12  Car  Car   C3    126.001
  11    8   12  Car  Car   C3    126.000
   8    9   10  Car  Car  Car    107.998
   8    9   13  Car  Car   HC    125.997
  10    9   13  Car  Car   HC    126.004
   2   10    6   S2  Car  Npl    126.000
   2   10    9   S2  Car  Car    108.003
   6   10    9  Npl  Car  Car    125.997
   2   11    8   S2  Car  Car    108.003
   2   11   14   S2  Car   HC    125.999
   8   11   14  Car  Car   HC    125.998
   3   12    4    F   C3    F     90.000
   3   12    5    F   C3    F     90.000
   3   12    8    F   C3  Car    179.974
   4   12    5    F   C3    F    179.974
   4   12    8    F   C3  Car     90.000
   5   12    8    F   C3  Car     90.000


TORSION ANGLES
  11    2   10    6    179.974
  11    2   10    9      0.026
  10    2   11    8      0.026
  10    2   11   14    179.974
  10    6    7   16    179.974
  10    6    7   17      0.026
  15    6    7   16      0.026
  15    6    7   17    179.974
   7    6   10    2      0.026
   7    6   10    9    179.974
  15    6   10    2    179.974
  15    6   10    9      0.026
  11    8    9   10      0.026
  11    8    9   13    179.974
  12    8    9   10    179.974
  12    8    9   13      0.026
   9    8   11    2      0.026
   9    8   11   14    179.974
  12    8   11    2    179.974
  12    8   11   14      0.026
   9    8   12    3    179.974
   9    8   12    4    179.974
   9    8   12    5      0.026
  11    8   12    3      0.026
  11    8   12    4      0.026
  11    8   12    5    179.974
   8    9   10    2      0.026
   8    9   10    6    179.974
  13    9   10    2    179.974
  13    9   10    6      0.026