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5-Chloro-2-fluoronicotinaldehyde
5-Chloro-2-fluoronicotinaldehyde ID: B184548
CAS:882679-90-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(ncc(c1)Cl)F)C=O	
FORMULA: C6H3ClFNO
MASS: 159.5455
EXACT MASS: 158.9887196
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7375     0.0000 
   N   3    1.2822     0.7396     0.0000 
   C   4    0.7396     1.2822     1.4875     0.0000 
   C   5    0.7468     1.2864     1.9646     1.2833     0.0000 
   O   6    1.2876     1.4900     2.2296     1.9588     0.7370     0.0000 
   C   7    1.4766     1.2792     0.7432     1.2843     2.2233     2.6740 
   C   8    1.2792     1.4766     1.2843     0.7432     1.9612     2.5667 
   F   9    1.2885     0.7504     1.2875     1.9673     1.4875     1.2931 
  Cl  10    1.9596     2.2192     1.9610     1.2875     2.5708     3.2320 

              C   7      C   8      F   9     Cl  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7375     0.0000 
   F   9    1.9653     2.2270     0.0000 
  Cl  10    1.2792     0.7426     2.9696     0.0000 



ATOMIC CHARGES
   C   1    0.0889467638
   C   2    0.2254836045
   N   3   -0.2154797196
   C   4    0.0200983364
   C   5    0.2380076636
   O   6   -0.2830106738
   C   7    0.1126126903
   C   8    0.0770562779
   F   9   -0.1830958802
  Cl  10   -0.0806190629


BOND ANGLES
   2    1    4  Car  Car  Car    120.466
   2    1    5  Car  Car   C2    120.143
   4    1    5  Car  Car   C2    119.392
   1    2    3  Car  Car  Nar    120.466
   1    2    9  Car  Car    F    119.982
   3    2    9  Nar  Car    F    119.553
   2    3    7  Car  Nar  Car    119.233
   1    4    8  Car  Car  Car    119.233
   1    5    6  Car   C2   O2    120.395
   3    7    8  Nar  Car  Car    120.301
   4    8    7  Car  Car  Car    120.301
   7    8   10  Car  Car   Cl    119.589
   4    8   10  Car  Car   Cl    120.110


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