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Products Information

3-Fluoro-6-picoline
3-Fluoro-6-picoline ID: B184567
CAS:31181-53-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(ccc(c1)F)C	
FORMULA: C6H6FN
MASS: 111.1169
EXACT MASS: 111.0484274
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      F   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7432     0.0000 
   C   3    0.7468     1.2875     0.0000 
   C   4    1.2864     1.4838     0.7375     0.0000 
   F   5    1.9673     2.2270     1.2843     0.7432     0.0000 
   C   6    1.2843     0.7375     1.4838     1.2875     1.9653     0.0000 
   C   7    1.4875     1.2843     1.2864     0.7468     1.2875     0.7432 
   C   8    1.2875     0.7468     1.9693     2.2305     2.9738     1.2864 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.9673     0.0000 



ATOMIC CHARGES
   N   1   -0.2457850757
   C   2    0.0595494619
   C   3    0.1279656047
   C   4    0.1591935838
   F   5   -0.2025282213
   C   6    0.0170560673
   C   7    0.0324572712
   C   8    0.0520913081


BOND ANGLES
   2    1    3  Car  Nar  Car    119.556
   1    2    6  Nar  Car  Car    120.301
   1    2    8  Nar  Car   C3    119.556
   6    2    8  Car  Car   C3    120.143
   1    3    4  Nar  Car  Car    120.143
   3    4    5  Car  Car    F    120.301
   3    4    7  Car  Car  Car    120.143
   5    4    7    F  Car  Car    119.556
   2    6    7  Car  Car  Car    120.301
   4    7    6  Car  Car  Car    119.556


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