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2-Chloro-3-fluoro-6-picoline
2-Chloro-3-fluoro-6-picoline ID: B184549
CAS:374633-32-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(ccc1C)F)Cl	
FORMULA: C6H5ClFN
MASS: 145.5620
EXACT MASS: 145.0094551
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.2864     0.7375     0.0000 
   C   4    0.7432     1.2875     1.4838     0.0000 
   C   5    1.4875     1.2864     0.7468     1.2843     0.0000 
  Cl   6    1.2875     0.7432     1.2843     1.9653     1.9673     0.0000 
   F   7    1.9673     1.2843     0.7432     2.2270     1.2875     1.4875 
   C   8    1.2843     1.4838     1.2875     0.7375     0.7432     2.2270 
   C   9    1.2875     1.9693     2.2305     0.7468     1.9673     2.5750 

              F   7      C   8      C   9
              ---------------------------------
   F   7    0.0000 
   C   8    1.9653     0.0000 
   C   9    2.9738     1.2864     0.0000 



ATOMIC CHARGES
   N   1   -0.2360002736
   C   2    0.1652002992
   C   3    0.1683853179
   C   4    0.0604749696
   C   5    0.0333084389
  Cl   6   -0.0589484545
   F   7   -0.2016599969
   C   8    0.0171157158
   C   9    0.0521239836


BOND ANGLES
   2    1    4  Car  Nar  Car    119.556
   1    2    3  Nar  Car  Car    120.143
   1    2    6  Nar  Car   Cl    119.556
   3    2    6  Car  Car   Cl    120.301
   2    3    7  Car  Car    F    120.301
   2    3    5  Car  Car  Car    120.143
   5    3    7  Car  Car    F    119.556
   1    4    8  Nar  Car  Car    120.301
   1    4    9  Nar  Car   C3    119.556
   8    4    9  Car  Car   C3    120.143
   3    5    8  Car  Car  Car    119.556
   4    8    5  Car  Car  Car    120.301


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