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Products Information

2-bromoquinoline
2-bromoquinoline ID: B187293
CAS:2005-43-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(ccc2c1cccc2)Br	
FORMULA: C9H6BrN
MASS: 208.0546
EXACT MASS: 206.9683612
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7436     0.0000 
   C   3    0.7354     1.2840     0.0000 
   C   4    1.2823     1.4844     0.7462     0.0000 
   C   5    1.4841     1.2899     1.2870     0.7382     0.0000 
   C   6    1.2914     0.7504     1.4877     1.2838     0.7424     0.0000 
  Br   7    1.2882     0.7390     1.9601     2.2233     1.9639     1.2880 
   C   8    1.2796     1.9625     0.7439     1.2928     1.9670     2.2317 
   C   9    1.9607     2.2304     1.2882     0.7460     1.2880     1.9673 
   C  10    1.9633     2.5762     1.2922     1.4951     2.2334     2.6851 
   C  11    2.2269     2.6814     1.4915     1.2924     1.9660     2.5762 

             Br   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
  Br   7    0.0000 
   C   8    2.5678     0.0000 
   C   9    2.9693     1.4881     0.0000 
   C  10    3.2380     0.7482     1.2892     0.0000 
   C  11    3.4041     1.2956     0.7400     0.7504     0.0000 



ATOMIC CHARGES
   N   1   -0.2386593816
   C   2    0.1153295945
   C   3    0.0818236353
   C   4    0.0177329833
   C   5    0.0035621269
   C   6    0.0259927538
  Br   7   -0.0280370155
   C   8    0.0191152080
   C   9    0.0014974170
   C  10    0.0015448424
   C  11    0.0000978360


BOND ANGLES
   2    1    3  Car  Nar  Car    120.488
   1    2    6  Nar  Car  Car    119.622
   1    2    7  Nar  Car   Br    120.660
   6    2    7  Car  Car   Br    119.718
   1    3    4  Nar  Car  Car    119.879
   1    3    8  Nar  Car  Car    119.769
   4    3    8  Car  Car  Car    120.352
   3    4    5  Car  Car  Car    120.221
   3    4    9  Car  Car  Car    119.373
   5    4    9  Car  Car  Car    120.406
   4    5    6  Car  Car  Car    120.238
   2    6    5  Car  Car  Car    119.552
   3    8   10  Car  Car  Car    120.000
   4    9   11  Car  Car  Car    120.847
   8   10   11  Car  Car  Car    119.659
   9   11   10  Car  Car  Car    119.769


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