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Products Information

3-Bromo-5-fluoro-2-hydroxypyrdine
3-Bromo-5-fluoro-2-hydroxypyrdine ID: B184525
CAS:884494-94-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)F)Br)O	
FORMULA: C5H3BrFNO
MASS: 191.9858
EXACT MASS: 190.9382039
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.2963     0.7417     0.0000 
   C   4    1.4875     1.2927     0.7555     0.0000 
   C   5    1.2859     1.4931     1.2958     0.7375     0.0000 
   C   6    0.7396     1.2958     1.4931     1.2822     0.7417     0.0000 
  Br   7    1.9787     1.2879     0.7432     1.3000     1.9735     2.2363 
   O   8    1.3000     0.7432     1.2879     1.9755     2.2363     1.9735 
   F   9    1.9592     2.2305     1.9685     1.2750     0.7375     1.2822 

             Br   7      O   8      F   9
              ---------------------------------
  Br   7    0.0000 
   O   8    1.4917     0.0000 
   F   9    2.5750     2.9738     0.0000 



ATOMIC CHARGES
   N   1   -0.2035418160
   C   2    0.2855780401
   C   3    0.0945788136
   C   4    0.0427785413
   C   5    0.1599225894
   C   6    0.1317518382
  Br   7   -0.0439096634
   O   8   -0.2646497362
   F   9   -0.2025086069


BOND ANGLES
   2    1    6  Car  Nar  Car    119.866
   1    2    3  Nar  Car  Car    119.668
   1    2    8  Nar  Car   O3    120.031
   3    2    8  Car  Car   O3    120.301
   2    3    7  Car  Car   Br    120.301
   2    3    4  Car  Car  Car    119.391
   4    3    7  Car  Car   Br    120.307
   3    4    5  Car  Car  Car    120.424
   4    5    6  Car  Car  Car    120.184
   4    5    9  Car  Car    F    119.631
   6    5    9  Car  Car    F    120.184
   1    6    5  Nar  Car  Car    120.466


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