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8-Quinoline boronic acid
8-Quinoline boronic acid ID: B187277
CAS:86-58-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(B(O)O)c2ncccc2ccc1	
FORMULA: C9H8BNO2
MASS: 172.9763
EXACT MASS: 173.0648089
INTERATOMIC DISTANCES

              C   1      B   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    0.7504     0.0000 
   C   3    0.7500     1.2993     0.0000 
   N   4    1.2993     1.5000     0.7504     0.0000 
   C   5    1.2993     1.9849     0.7504     1.3000     0.0000 
   O   6    1.2993     0.7500     1.9845     2.2500     2.5986     0.0000 
   O   7    1.3000     0.7504     1.5008     1.2993     2.2512     1.2993 
   C   8    0.7504     1.3000     1.2993     1.9849     1.5000     1.5008 
   C   9    1.3000     1.9857     1.5008     2.2512     1.2993     2.2512 
   C  10    1.9845     2.2500     1.2993     0.7500     1.5008     3.0000 
   C  11    1.5008     2.2512     1.3000     1.9857     0.7504     2.7052 
   C  12    1.9845     2.5986     1.2993     1.5008     0.7500     3.2696 
   C  13    2.2500     2.7043     1.5000     1.2993     1.2993     3.4370 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.9857     0.0000 
   C   9    2.6000     0.7504     0.0000 
   C  10    1.9845     2.5986     2.7052     0.0000 
   C  11    2.7060     1.2993     0.7500     2.2512     0.0000 
   C  12    2.7052     2.2500     1.9845     1.3000     1.2993     0.0000 
   C  13    2.5986     2.7043     2.5986     0.7504     1.9849     0.7504 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   N   4    0.0000000000
   C   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    119.982
   2    1    8   B2  Car  Car    120.037
   3    1    8  Car  Car  Car    119.982
   1    2    6  Car   B2   O3    119.982
   1    2    7  Car   B2   O3    120.037
   6    2    7   O3   B2   O3    119.982
   1    3    4  Car  Car  Nar    119.982
   1    3    5  Car  Car  Car    119.982
   4    3    5  Nar  Car  Car    120.037
   3    4   10  Car  Nar  Car    119.982
   3    5   12  Car  Car  Car    119.982
   3    5   11  Car  Car  Car    120.037
  11    5   12  Car  Car  Car    119.982
   1    8    9  Car  Car  Car    120.037
   8    9   11  Car  Car  Car    119.982
   4   10   13  Nar  Car  Car    119.982
   5   11    9  Car  Car  Car    119.982
   5   12   13  Car  Car  Car    119.982
  10   13   12  Car  Car  Car    120.037


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    8      0.026
   7    2    1    3      0.026
   7    2    1    8    179.974
   4    3    1    2      0.026
   4    3    1    8    179.974
   5    3    1    2    179.974
   5    3    1    8      0.026
  10    4    3    1    179.974
  10    4    3    5      0.026
  12    5    3    1    179.974
  12    5    3    4      0.026
  11    5    3    1      0.026
  11    5    3    4    179.974
   9    8    1    2    179.974
   9    8    1    3      0.026
  11    9    8    1      0.026
  13   10    4    3      0.026
   5   11    9    8      0.026
  13   12    5    3      0.026
  13   12    5   11    179.974
  10   13   12    5      0.026
   9   11    5    3      0.026
   9   11    5   12    179.974
  12   13   10    4      0.026