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4-Bromo-3-fluoropyridine HCl
4-Bromo-3-fluoropyridine HCl ID: B184536
CAS:2546-52-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Br)ccnc1)F.Cl	
FORMULA: C5H4BrClFN
MASS: 212.4474
EXACT MASS: 210.9199670
INTERATOMIC DISTANCES

              C   1      C   2      N   3      F   4     Br   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7463     0.0000 
   N   3    1.2956     1.4875     0.0000 
   F   4    0.7396     1.2875     1.9736     0.0000 
  Br   5    1.2948     0.7459     2.2333     1.4946     0.0000 
   C   6    1.2917     0.7432     1.2843     1.9669     1.2853     0.0000 
   C   7    0.7500     1.2921     0.7483     1.2931     1.9768     1.4895 
  Cl   8    2.3617     2.9716     3.3547     1.6845     3.0587     3.6399 
   C   9    1.4936     1.2879     0.7411     2.2333     1.9659     0.7417 
   H  10    1.6346     2.2261     2.7164     0.9396     2.3371     2.9012 

              C   7     Cl   8      C   9      H  10
              --------------------------------------------
   C   7    0.0000 
  Cl   8    2.6070     0.0000 
   C   9    1.2917     3.8027     0.0000 
   H  10    1.9725     0.7458     3.1029     0.0000 



ATOMIC CHARGES
   C   1    0.1653269499
   C   2    0.0650779841
   N   3   -0.2399314235
   F   4   -0.2020058805
  Br   5   -0.0465603168
   C   6    0.0296298273
   C   7    0.1289141960
  Cl   8   -0.1453996612
   C   9    0.0995486635
   H  10    0.1453996612


BOND ANGLES
   2    1    4  Car  Car    F    120.105
   2    1    7  Car  Car  Car    119.430
   4    1    7    F  Car  Car    120.466
   1    2    5  Car  Car   Br    120.390
   1    2    6  Car  Car  Car    120.269
   5    2    6   Br  Car  Car    119.341
   7    3    9  Car  Nar  Car    120.276
   2    6    9  Car  Car  Car    120.301
   1    7    3  Car  Car  Nar    119.703
   3    9    6  Nar  Car  Car    120.021


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