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Products Information

3-Bromo-2-fluoro-5-picoline
3-Bromo-2-fluoro-5-picoline ID: B184531
CAS:17282-01-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)C)Br)F	
FORMULA: C6H5BrFN
MASS: 190.0130
EXACT MASS: 188.9589394
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      F   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    0.7396     1.2958     1.4931     1.2822     0.0000 
   F   6    1.3000     0.7432     1.2879     1.9755     1.9735     0.0000 
  Br   7    1.9787     1.2879     0.7432     1.3000     2.2363     1.4917 
   C   8    1.2859     1.4931     1.2958     0.7375     0.7417     2.2363 
   C   9    1.9592     2.2305     1.9685     1.2750     1.2822     2.9738 

             Br   7      C   8      C   9
              ---------------------------------
  Br   7    0.0000 
   C   8    1.9735     0.0000 
   C   9    2.5750     0.7375     0.0000 



ATOMIC CHARGES
   N   1   -0.2163742378
   C   2    0.2284550571
   C   3    0.0801379232
   C   4    0.0078229899
   C   5    0.0970228071
   F   6   -0.1826706284
  Br   7   -0.0450231441
   C   8   -0.0020455316
   C   9    0.0326747646


BOND ANGLES
   2    1    5  Car  Nar  Car    119.866
   1    2    3  Nar  Car  Car    119.668
   1    2    6  Nar  Car    F    120.031
   3    2    6  Car  Car    F    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    8  Car  Car  Car    120.424
   1    5    8  Nar  Car  Car    120.466
   4    8    5  Car  Car  Car    120.184
   4    8    9  Car  Car   C3    119.631
   5    8    9  Car  Car   C3    120.184


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