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Products Information

2-Bromonaphthalene
2-Bromonaphthalene ID: B187202
CAS:580-13-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12cc(ccc1cccc2)Br	
FORMULA: C10H7Br
MASS: 207.0666
EXACT MASS: 205.9731122
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   C   3    0.7504     1.3000     0.0000 
   C   4    1.2993     1.5008     0.7500     0.0000 
   C   5    1.2993     0.7500     1.5008     1.3000     0.0000 
   C   6    1.5000     1.2993     1.2993     0.7504     0.7504     0.0000 
  Br   7    1.9849     1.2993     2.2512     1.9857     0.7504     1.3000 
   C   8    0.7500     1.2993     1.2993     1.9845     1.9845     2.2500 
   C   9    1.3000     1.9857     0.7504     1.2993     2.2512     1.9849 
   C  10    1.2993     1.9849     1.5000     2.2500     2.5986     2.7043 
   C  11    1.5008     2.2512     1.2993     1.9845     2.7052     2.5986 

             Br   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
  Br   7    0.0000 
   C   8    2.5986     0.0000 
   C   9    3.0017     1.5008     0.0000 
   C  10    3.2700     0.7504     1.2993     0.0000 
   C  11    3.4384     1.3000     0.7500     0.7504     0.0000 



ATOMIC CHARGES
   C   1    0.0004899236
   C   2    0.0066954190
   C   3    0.0000307281
   C   4    0.0005051913
   C   5    0.0345659851
   C   6    0.0066956108
  Br   7   -0.0489988972
   C   8    0.0000154603
   C   9    0.0000003842
   C  10    0.0000001925
   C  11    0.0000000023


BOND ANGLES
   2    1    3  Car  Car  Car    120.037
   2    1    8  Car  Car  Car    119.982
   3    1    8  Car  Car  Car    119.982
   1    2    5  Car  Car  Car    119.982
   1    3    4  Car  Car  Car    119.982
   1    3    9  Car  Car  Car    120.037
   4    3    9  Car  Car  Car    119.982
   3    4    6  Car  Car  Car    119.982
   2    5    7  Car  Car   Br    119.982
   2    5    6  Car  Car  Car    119.982
   6    5    7  Car  Car   Br    120.037
   4    6    5  Car  Car  Car    120.037
   1    8   10  Car  Car  Car    119.982
   3    9   11  Car  Car  Car    119.982
   8   10   11  Car  Car  Car    120.037
   9   11   10  Car  Car  Car    119.982


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