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2-(bromomethyl)quinoline
2-(bromomethyl)quinoline ID: B187286
CAS:5632-15-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c2c(ccc1CBr)cccc2	
FORMULA: C10H8BrN
MASS: 222.0812
EXACT MASS: 220.9840113
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7354     0.0000 
   C   3    0.7436     1.2840     0.0000 
   C   4    1.2843     0.7461     1.4880     0.0000 
   C   5    1.4841     1.2870     1.2899     0.7419     0.0000 
   C   6    1.2870     1.4804     0.7502     1.2797     0.7354     0.0000 
  Br   7    1.9536     2.5506     1.2668     2.6527     2.1996     1.4642 
   C   8    1.2882     1.9601     0.7390     2.2269     1.9639     1.2919 
   C   9    1.2879     0.7512     1.9707     1.2950     1.9727     2.2317 
   C  10    1.9607     1.2882     2.2304     0.7424     1.2880     1.9592 
   C  11    1.9714     1.3005     2.5845     1.4987     2.2407     2.6851 
   C  12    2.2269     1.4915     2.6814     1.2882     1.9660     2.5679 

             Br   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Br   7    0.0000 
   C   8    0.7396     0.0000 
   C   9    3.2265     2.5761     0.0000 
   C  10    3.3781     2.9693     1.4883     0.0000 
   C  11    3.8511     3.2462     0.7482     1.2936     0.0000 
   C  12    3.9084     3.4041     1.2917     0.7400     0.7507     0.0000 




ATOMIC CHARGES
   N   1   -0.2487898981
   C   2    0.0809120860
   C   3    0.0704272718
   C   4    0.0176769422
   C   5    0.0027323465
   C   6    0.0156241055
  Br   7   -0.0739028656
   C   8    0.1130962798
   C   9    0.0190847414
   C  10    0.0014967035
   C  11    0.0015444554
   C  12    0.0000978316


BOND ANGLES
   2    1    3  Car  Nar  Car    120.488
   1    2    4  Nar  Car  Car    120.201
   1    2    9  Nar  Car  Car    120.070
   4    2    9  Car  Car  Car    119.728
   1    3    6  Nar  Car  Car    118.988
   1    3    8  Nar  Car   C3    120.660
   6    3    8  Car  Car   C3    120.352
   2    4   10  Car  Car  Car    119.864
   2    4    5  Car  Car  Car    119.745
   5    4   10  Car  Car  Car    120.392
   4    5    6  Car  Car  Car    120.054
   3    6    5  Car  Car  Car    120.523
   3    8    7  Car   C3   Br    117.907
   2    9   11  Car  Car  Car    120.301
   4   10   12  Car  Car  Car    120.678
   9   11   12  Car  Car  Car    119.026
  10   12   11  Car  Car  Car    120.403


TORSION ANGLES
   4    2    1    3      0.026
   9    2    1    3    179.974
   6    3    1    2      0.026
   8    3    1    2    179.974
  10    4    2    1    179.974
  10    4    2    9      0.026
   5    4    2    1      0.026
   5    4    2    9    179.974
   4    5    6    3      0.026
   5    6    3    1      0.026
   5    6    3    8    179.974
   7    8    3    1    179.974
   7    8    3    6      0.026
  11    9    2    1    179.974
  11    9    2    4      0.026
  12   10    4    2      0.026
  12   10    4    5    179.974
  12   11    9    2      0.026
  10   12   11    9      0.026
   2    4    5    6      0.026
  10    4    5    6    179.974
   4   10   12   11      0.026