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Products Information

2-fluoro-6-(trifluoromethyl)pyridine
2-fluoro-6-(trifluoromethyl)pyridine ID: B204089
CAS:94239-04-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1c(nc(cc1)F)C(F)(F)F	
FORMULA: C6H3F4N
MASS: 165.0883
EXACT MASS: 165.0201620
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7375     0.0000 
   N   3    1.2806     0.7410     0.0000 
   C   4    1.4765     1.2791     0.7375     0.0000 
   C   5    1.2791     1.4765     1.2786     0.7375     0.0000 
   C   6    0.7410     1.2806     1.4791     1.2786     0.7375     0.0000 
   F   7    2.2176     1.9563     1.2792     0.7411     1.2807     1.9555 
   C   8    1.2807     0.7411     1.2833     1.9563     2.2176     1.9582 
   F   9    1.6353     1.3660     2.0050     2.6394     2.7883     2.3751 
   F  10    1.9581     1.2843     1.4822     2.2197     2.6668     2.5649 
   F  11    1.9584     1.4823     1.9604     2.6677     2.9588     2.6699 

              F   7      C   8      F   9      F  10      F  11
              -------------------------------------------------------
   F   7    0.0000 
   C   8    2.5625     0.0000 
   F   9    3.2806     0.7378     0.0000 
   F  10    2.6677     0.7417     1.1742     0.0000 
   F  11    3.2256     0.7412     0.5669     0.7411     0.0000 



ATOMIC CHARGES
   C   1    0.0232601886
   C   2    0.1549414552
   N   3   -0.2140213999
   C   4    0.2222375370
   C   5    0.0496652513
   C   6    0.0054182696
   F   7   -0.1832133645
   C   8    0.4349123170
   F   9   -0.1644000847
   F  10   -0.1644000847
   F  11   -0.1644000847


BOND ANGLES
   2    1    6  Car  Car  Car    120.025
   1    2    3  Car  Car  Nar    120.025
   1    2    8  Car  Car   C3    120.021
   3    2    8  Nar  Car   C3    119.954
   2    3    4  Car  Nar  Car    119.791
   3    4    5  Nar  Car  Car    120.184
   3    4    7  Nar  Car    F    119.795
   5    4    7  Car  Car    F    120.021
   4    5    6  Car  Car  Car    120.184
   1    6    5  Car  Car  Car    119.791
   2    8    9  Car   C3    F    134.927
   2    8   10  Car   C3    F    120.021
   2    8   11  Car   C3    F    179.974
   9    8   10    F   C3    F    105.051
   9    8   11    F   C3    F     45.079
  10    8   11    F   C3    F     59.972


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