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Products Information


ID: 1701407875
Supplier:Focus Synthesis LLC.

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SMILES:N(CC(F)F)C1CCC1.Cl	
FORMULA: C6H12ClF2N
MASS: 171.6160
EXACT MASS: 171.0626335
INTERATOMIC DISTANCES

              N   1      C   2      C   3      F   4      F   5     Cl   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4285     0.0000 
   C   3    0.8267     0.8299     0.0000 
   F   4    2.1814     0.8259     1.6558     0.0000 
   F   5    2.0986     0.8254     1.3146     1.0035     0.0000 
  Cl   6    1.5210     1.7900     1.0921     2.5638     1.8432     0.0000 
   C   7    0.8174     2.1748     1.4198     2.9661     2.7300     1.5328 
   C   8    1.9877     3.3029     2.5006     4.1122     3.7617     2.1757 
   C   9    1.5265     2.6517     1.8237     3.4766     3.0156     1.3584 
   C  10    1.5197     2.9415     2.2288     3.6996     3.5432     2.2883 
   H  11    1.4502     0.8255     1.3147     1.0035     1.5935     2.4037 
   H  12    1.9095     2.5637     1.7863     3.3624     2.6688     0.8258 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1703     0.0000 
   C   9    0.8306     0.8187     0.0000 
   C  10    0.8246     0.8187     1.1579     0.0000 
   H  11    2.2668     3.4366     2.9356     2.8962     0.0000 
   H  12    1.5272     1.6685     0.9173     2.0622     3.0827     0.0000 




ATOMIC CHARGES
   N   1   -0.2141137014
   C   2    0.2626980794
   C   3    0.1508826971
   F   4   -0.2070418979
   F   5   -0.2070418979
  Cl   6   -0.1453996612
   C   7    0.0729720634
   C   8    0.0028591992
   C   9    0.0174303087
   C  10    0.0174303087
   H  11    0.1039248407
   H  12    0.1453996612


BOND ANGLES
   3    1    7   C3   N3   C3    119.436
   3    2    4   C3   C3    F    179.974
   3    2    5   C3   C3    F    105.156
   3    2   11   C3   C3   HC    105.154
   4    2    5    F   C3    F     74.844
   4    2   11    F   C3   HC     74.846
   5    2   11    F   C3   HC    149.690
   1    3    2   N3   C3   C3    119.141
   1    7    9   N3   C3   C3    135.715
   1    7   10   N3   C3   C3    135.506
   9    7   10   C3   C3   C3     88.779
   9    8   10   C3   C3   C3     90.000
   7    9    8   C3   C3   C3     90.396
   7   10    8   C3   C3   C3     90.825


TORSION ANGLES
   4    2    3    1    180.000
   5    2    3    1    179.974
  11    2    3    1      0.026
   2    3    1    7    179.974
   9    7    1    3      0.026
  10    7    1    3    179.974
  10    8    9    7      0.026
   8    9    7    1    179.974
   8    9    7   10      0.026
   8   10    7    1    179.974
   8   10    7    9      0.026
   9    8   10    7      0.026