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Products Information

4-bromoquinoline
4-bromoquinoline ID: B187292
CAS:3964-04-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(ccnc1cccc2)Br	
FORMULA: C9H6BrN
MASS: 208.0546
EXACT MASS: 206.9683612
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2789     0.0000 
   C   3    0.7475     1.4800     0.0000 
   C   4    0.7379     0.7424     1.2879     0.0000 
   C   5    1.4858     0.7381     1.2880     1.2883     0.0000 
   C   6    1.2838     1.2800     0.7376     1.4838     0.7461     0.0000 
  Br   7    1.2950     2.2263     0.7462     1.9693     1.9704     1.2860 
   C   8    0.7482     1.9628     1.2963     1.2846     2.2340     1.9682 
   C   9    1.2870     1.2836     1.9698     0.7422     1.9625     2.2260 
   C  10    1.2885     2.2304     1.9694     1.4880     2.6827     2.5723 
   C  11    1.4875     1.9673     2.2350     1.2880     2.5763     2.6790 

             Br   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
  Br   7    0.0000 
   C   8    1.4987     0.0000 
   C   9    2.5820     1.4880     0.0000 
   C  10    2.2331     0.7343     1.2992     0.0000 
   C  11    2.6876     1.2835     0.7504     0.7504     0.0000 



ATOMIC CHARGES
   C   1    0.0239144656
   N   2   -0.2438060295
   C   3    0.0375459806
   C   4    0.0817817458
   C   5    0.0993332024
   C   6    0.0273698517
  Br   7   -0.0488992850
   C   8    0.0019888308
   C   9    0.0191128735
   C  10    0.0001133633
   C  11    0.0015450009


BOND ANGLES
   3    1    4  Car  Car  Car    120.224
   3    1    8  Car  Car  Car    120.150
   4    1    8  Car  Car  Car    119.626
   4    2    5  Car  Nar  Car    120.960
   1    3    6  Car  Car  Car    119.641
   1    3    7  Car  Car   Br    120.202
   6    3    7  Car  Car   Br    120.156
   1    4    2  Car  Car  Nar    119.520
   2    4    9  Nar  Car  Car    119.674
   1    4    9  Car  Car  Car    120.806
   2    5    6  Nar  Car  Car    119.176
   3    6    5  Car  Car  Car    120.479
   1    8   10  Car  Car  Car    120.702
   4    9   11  Car  Car  Car    119.300
   8   10   11  Car  Car  Car    119.640
   9   11   10  Car  Car  Car    119.925


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