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Products Information

6-bromoquinoline
6-bromoquinoline ID: B187291
CAS:5332-25-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c2c(cc(cc2)Br)ccc1	
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    1.2750     0.0000 
   C   3    0.7354     0.7379     0.0000 
   C   4    1.9575     0.7482     1.2846     0.0000 
   C   5    1.2836     1.2914     0.7495     1.4882     0.0000 
   C   6    2.2304     1.2968     1.4950     0.7417     1.2992     0.0000 
   C   7    1.9673     1.4948     1.2963     1.2879     0.7504     0.7504 
  Br   8    2.9680     1.9709     2.2326     1.2843     1.9737     0.7376 
   C   9    0.7419     1.4743     1.2797     2.2225     1.9639     2.6801 
   C  10    1.4802     0.7439     1.2857     1.2922     1.9727     1.9736 
   C  11    1.2857     1.2796     1.4822     1.9633     2.2317     2.5763 

              C   7     Br   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
  Br   8    1.2898     0.0000 
   C   9    2.5761     3.4001     0.0000 
   C  10    2.2387     2.5765     1.2787     0.0000 
   C  11    2.6841     3.2351     0.7421     0.7354     0.0000 



ATOMIC CHARGES
   N   1   -0.2438374584
   C   2    0.0181895395
   C   3    0.0813368487
   C   4    0.0081923090
   C   5    0.0196022637
   C   6    0.0346627425
   C   7    0.0082401280
  Br   8   -0.0489976523
   C   9    0.0988264766
   C  10    0.0031054879
   C  11    0.0206793147


BOND ANGLES
   3    1    9  Car  Nar  Car    120.054
   3    2    4  Car  Car  Car    119.626
   3    2   10  Car  Car  Car    120.374
   4    2   10  Car  Car  Car    120.000
   1    3    2  Nar  Car  Car    119.857
   2    3    5  Car  Car  Car    120.500
   1    3    5  Nar  Car  Car    119.642
   2    4    6  Car  Car  Car    121.000
   3    5    7  Car  Car  Car    119.607
   7    6    8  Car  Car   Br    120.167
   4    6    7  Car  Car  Car    119.341
   4    6    8  Car  Car   Br    120.492
   5    7    6  Car  Car  Car    119.925
   1    9   11  Nar  Car  Car    120.077
   2   10   11  Car  Car  Car    119.769
   9   11   10  Car  Car  Car    119.868


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