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Products Information

5-Bromoquinoline
5-Bromoquinoline ID: B187351
CAS:4964-71-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(Br)cccc1nccc2	
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    1.4316     0.0000 
   C   3    0.8233     2.1833     0.0000 
   C   4    0.8250     0.8254     1.4280     0.0000 
  Br   5    1.4280     2.8596     0.8250     2.1821     0.0000 
   C   6    0.8305     1.6542     1.4333     1.4321     1.6538     0.0000 
   C   7    1.6466     2.1777     1.4280     1.4250     2.1821     2.4771 
   C   8    1.6529     0.8192     2.4762     1.4251     2.9790     1.4347 
   C   9    1.4250     2.4720     0.8233     1.6466     1.4280     2.1851 
   C  10    1.4280     1.4250     1.6500     0.8233     2.4750     2.1856 
   C  11    1.4333     1.4321     2.1859     1.6517     2.4792     0.8254 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.8500     0.0000 
   C   9    0.8250     2.9705     0.0000 
   C  10    0.8233     2.1746     1.4280     0.0000 
   C  11    2.9738     0.8333     2.8583     2.4750     0.0000 



ATOMIC CHARGES
   C   1    0.0239144927
   N   2   -0.2438221825
   C   3    0.0360009286
   C   4    0.0817817048
  Br   5   -0.0489498245
   C   6    0.0035817774
   C   7    0.0020498052
   C   8    0.0988268961
   C   9    0.0067932220
   C  10    0.0191285261
   C  11    0.0206946541


BOND ANGLES
   3    1    4  Car  Car  Car    120.069
   3    1    6  Car  Car  Car    120.150
   4    1    6  Car  Car  Car    119.782
   4    2    8  Car  Nar  Car    120.113
   1    3    5  Car  Car   Br    120.069
   1    3    9  Car  Car  Car    119.863
   5    3    9   Br  Car  Car    120.069
   1    4    2  Car  Car  Nar    120.321
   2    4   10  Nar  Car  Car    119.611
   1    4   10  Car  Car  Car    120.069
   1    6   11  Car  Car  Car    119.897
   9    7   10  Car  Car  Car    120.069
   2    8   11  Nar  Car  Car    120.137
   3    9    7  Car  Car  Car    120.069
   4   10    7  Car  Car  Car    119.863
   6   11    8  Car  Car  Car    119.750


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