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Products Information

2-Bromo-3-iodo-4-picoline
2-Bromo-3-iodo-4-picoline ID: B184539
CAS:65550-78-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(c(ccn1)C)I)Br	
FORMULA: C6H5BrIN
MASS: 297.9191
EXACT MASS: 296.8650092
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4     Br   5      I   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   N   3    0.7411     1.2915     0.0000 
   C   4    1.2879     0.7391     1.4875     0.0000 
  Br   5    0.7483     1.2956     1.2917     1.9701     0.0000 
   I   6    1.2972     0.7468     1.9736     1.2875     1.4958     0.0000 
   C   7    1.2875     1.4900     0.7447     1.2900     1.9727     2.2368 
   C   8    1.4859     1.2875     1.2864     0.7468     2.2342     1.9709 
   C   9    1.9727     1.2885     2.2333     0.7458     2.5841     1.4910 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.7417     0.0000 
   C   9    1.9686     1.2894     0.0000 



ATOMIC CHARGES
   C   1    0.1203625014
   C   2    0.0501021963
   N   3   -0.2367277636
   C   4   -0.0129758240
  Br   5   -0.0275970848
   I   6   -0.0407563571
   C   7    0.0991248439
   C   8    0.0168783301
   C   9    0.0315891578


BOND ANGLES
   2    1    3  Car  Car  Nar    120.021
   2    1    5  Car  Car   Br    119.703
   3    1    5  Nar  Car   Br    120.276
   1    2    4  Car  Car  Car    119.746
   1    2    6  Car  Car    I    120.143
   4    2    6  Car  Car    I    120.111
   1    3    7  Car  Nar  Car    120.116
   2    4    9  Car  Car   C3    120.383
   2    4    8  Car  Car  Car    120.111
   8    4    9  Car  Car   C3    119.505
   3    7    8  Nar  Car  Car    119.863
   4    8    7  Car  Car  Car    120.143


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