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2-Chloro-5-fluoro-3-picoline
2-Chloro-5-fluoro-3-picoline ID: B184550
CAS:38186-84-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)F)C)Cl	
FORMULA: C6H5ClFN
MASS: 145.5620
EXACT MASS: 145.0094551
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.2864     0.7375     0.0000 
   C   4    1.4875     1.2864     0.7468     0.0000 
   C   5    0.7432     1.2875     1.4838     1.2843     0.0000 
   C   6    1.2843     1.4838     1.2875     0.7432     0.7375     0.0000 
  Cl   7    1.2875     0.7432     1.2843     1.9673     1.9653     2.2270 
   F   8    1.9610     2.2264     1.9678     1.2875     1.2792     0.7426 
   C   9    1.9673     1.2843     0.7432     1.2875     2.2270     1.9653 

             Cl   7      F   8      C   9
              ---------------------------------
  Cl   7    0.0000 
   F   8    2.9696     0.0000 
   C   9    1.4875     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2304063630
   C   2    0.1345024153
   C   3    0.0088796024
   C   4    0.0293405323
   C   5    0.1293379048
   C   6    0.1589614118
  Cl   7   -0.0616718671
   F   8   -0.2025376646
   C   9    0.0335940282


BOND ANGLES
   2    1    5  Car  Nar  Car    119.556
   1    2    3  Nar  Car  Car    120.143
   1    2    7  Nar  Car   Cl    119.556
   3    2    7  Car  Car   Cl    120.301
   2    3    9  Car  Car   C3    120.301
   2    3    4  Car  Car  Car    120.143
   4    3    9  Car  Car   C3    119.556
   3    4    6  Car  Car  Car    119.556
   1    5    6  Nar  Car  Car    120.301
   4    6    5  Car  Car  Car    120.301
   4    6    8  Car  Car    F    120.110
   5    6    8  Car  Car    F    119.589


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