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quinolin-5-yl-5-boronic acid
quinolin-5-yl-5-boronic acid ID: B187278
CAS:355386-94-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c2c(nccc2)ccc1)B(O)O	
FORMULA: C9H8BNO2
MASS: 172.9763
EXACT MASS: 173.0648089
INTERATOMIC DISTANCES

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

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

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



ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   B   3    0.0000000000
   C   4    0.0000000000
   N   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  Car  Car   B2    119.982
   2    1    8  Car  Car  Car    119.982
   3    1    8   B2  Car  Car    120.037
   1    2    4  Car  Car  Car    119.982
   1    2    9  Car  Car  Car    119.982
   4    2    9  Car  Car  Car    120.037
   1    3    6  Car   B2   O3    119.982
   1    3    7  Car   B2   O3    120.037
   6    3    7   O3   B2   O3    119.982
   2    4    5  Car  Car  Nar    119.982
   2    4   12  Car  Car  Car    120.037
   5    4   12  Nar  Car  Car    119.982
   4    5   11  Car  Nar  Car    119.982
   1    8   10  Car  Car  Car    120.037
   2    9   13  Car  Car  Car    119.982
   8   10   12  Car  Car  Car    119.982
   5   11   13  Nar  Car  Car    120.037
   4   12   10  Car  Car  Car    119.982
   9   13   11  Car  Car  Car    119.982


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