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Products Information

8-bromoquinoline
8-bromoquinoline ID: B187290
CAS:16567-18-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12ncccc2cccc1Br	
FORMULA: C9H6BrN
MASS: 208.0546
EXACT MASS: 206.9683612
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4     Br   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7424     0.0000 
   C   3    0.7402     1.2837     0.0000 
   C   4    0.7462     1.2862     1.2906     0.0000 
  Br   5    1.2835     1.4858     0.7379     1.9663     0.0000 
   C   6    1.4880     2.2304     1.2956     1.2882     1.9689     0.0000 
   C   7    1.2882     0.7400     1.9625     1.4880     2.2257     2.6814 
   C   8    1.2880     1.9673     0.7482     1.4914     1.2846     0.7504 
   C   9    1.2882     1.9659     1.4880     0.7460     2.2259     0.7363 
   C  10    1.2914     1.4841     1.9698     0.7456     2.5749     1.9701 
   C  11    1.4877     1.2870     2.2280     1.2838     2.6783     2.5720 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.5762     0.0000 
   C   9    2.2340     1.2870     0.0000 
   C  10    1.2880     2.2370     1.2963     0.0000 
   C  11    0.7503     2.6811     1.9673     0.7354     0.0000 



ATOMIC CHARGES
   C   1    0.0874579685
   N   2   -0.2433407050
   C   3    0.0521619513
   C   4    0.0181861507
  Br   5   -0.0474337006
   C   6    0.0006030304
   C   7    0.0988447015
   C   8    0.0082069149
   C   9    0.0015284137
   C  10    0.0031057197
   C  11    0.0206795547


BOND ANGLES
   2    1    3  Nar  Car  Car    119.952
   2    1    4  Nar  Car  Car    119.541
   3    1    4  Car  Car  Car    120.507
   1    2    7  Car  Nar  Car    120.678
   1    3    5  Car  Car   Br    120.528
   1    3    8  Car  Car  Car    119.845
   5    3    8   Br  Car  Car    119.626
   1    4    9  Car  Car  Car    119.373
   1    4   10  Car  Car  Car    119.918
   9    4   10  Car  Car  Car    120.709
   8    6    9  Car  Car  Car    119.922
   2    7   11  Nar  Car  Car    119.449
   3    8    6  Car  Car  Car    119.659
   4    9    6  Car  Car  Car    120.694
   4   10   11  Car  Car  Car    120.203
   7   11   10  Car  Car  Car    120.210


TORSION ANGLES
   7    2    1    3    179.974
   7    2    1    4      0.026
   5    3    1    2      0.026
   5    3    1    4    179.974
   8    3    1    2    179.974
   8    3    1    4      0.026
   9    4    1    2    179.974
   9    4    1    3      0.026
  10    4    1    2      0.026
  10    4    1    3    179.974
   8    6    9    4      0.026
  11    7    2    1      0.026
   6    8    3    1      0.026
   6    8    3    5    179.974
   6    9    4    1      0.026
   6    9    4   10    179.974
  11   10    4    1      0.026
  11   10    4    9    179.974
   7   11   10    4      0.026
   9    6    8    3      0.026
   2    7   11   10      0.026