Sign In Join Free

Products Information

quinolin-2-yl-2-boronic acid
quinolin-2-yl-2-boronic acid ID: B187281
CAS:745784-12-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:n1c(B(O)O)ccc2c1cccc2	
FORMULA: C9H8BNO2
MASS: 172.9763
EXACT MASS: 173.0648089
INTERATOMIC DISTANCES

              N   1      C   2      B   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   B   3    1.2822     0.7375     0.0000 
   C   4    0.7375     1.2864     1.9568     0.0000 
   C   5    1.2958     0.7504     1.2927     1.4910     0.0000 
   C   6    1.2864     1.4875     2.2250     0.7468     1.2885     0.0000 
   C   7    1.4910     1.2885     1.9636     1.2958     0.7375     0.7504 
   O   8    1.4875     1.2864     0.7396     2.2250     1.9728     2.6790 
   O   9    1.9646     1.2822     0.7468     2.5686     1.4876     2.6770 
   C  10    1.2843     1.9673     2.5665     0.7432     2.2342     1.2875 
   C  11    1.9673     2.2333     2.9708     1.2935     1.9687     0.7458 
   C  12    1.9660     2.5778     3.2345     1.2915     2.6846     1.4879 
   C  13    2.2333     2.6871     3.4060     1.4958     2.5820     1.2935 

              C   7      O   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.5748     0.0000 
   O   9    2.2250     1.2833     0.0000 
   C  10    1.9735     2.6780     3.2351     0.0000 
   C  11    1.2956     3.4076     3.4060     1.4879     0.0000 
   C  12    2.2383     3.4068     3.8601     0.7458     1.2875     0.0000 
   C  13    1.9790     3.7208     3.9359     1.2915     0.7468     0.7432 

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



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


BOND ANGLES
   2    1    4  Car  Nar  Car    120.143
   1    2    3  Nar  Car   B2    119.498
   1    2    5  Nar  Car  Car    119.876
   3    2    5   B2  Car  Car    120.626
   2    3    8  Car   B2   O3    121.110
   2    3    9  Car   B2   O3    119.498
   8    3    9   O3   B2   O3    119.392
   1    4    6  Nar  Car  Car    120.143
   1    4   10  Nar  Car  Car    120.301
   6    4   10  Car  Car  Car    119.556
   2    5    7  Car  Car  Car    119.982
   4    6    7  Car  Car  Car    119.876
   4    6   11  Car  Car  Car    120.143
   7    6   11  Car  Car  Car    119.982
   5    7    6  Car  Car  Car    119.982
   4   10   12  Car  Car  Car    120.301
   6   11   13  Car  Car  Car    120.143
  10   12   13  Car  Car  Car    120.301
  11   13   12  Car  Car  Car    119.556


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