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6-morpholinopyridin-3-yl-3-boronic acid
6-morpholinopyridin-3-yl-3-boronic acid
ID: BP-12069
CAS:904326-93-8
Supplier:BroadPharm

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SMILES:c1(B(O)O)cnc(N2CCOCC2)cc1	
FORMULA: C9H13BN2O3
MASS: 208.0221
EXACT MASS: 208.1019227
INTERATOMIC DISTANCES

              C   1      C   2      N   3      B   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.6502     0.0000 
   N   3    1.4280     0.8269     0.0000 
   B   4    0.8269     2.4772     2.1829     0.0000 
   N   5    2.4735     0.8233     1.4292     3.3004     0.0000 
   C   6    0.8250     1.4334     0.8269     1.4280     2.1852     0.0000 
   C   7    0.8197     1.4322     1.6500     1.4250     2.1857     1.4280 
   C   8    1.4250     0.8291     1.4315     2.1803     1.4336     1.6523 
   O   9    4.1201     2.4699     2.9710     4.9470     1.6466     3.7793 
   O  10    1.4301     2.9764     2.8580     0.8250     3.7810     2.1821 
   O  11    1.4292     2.9751     2.4735     0.8233     3.7793     1.6466 
   C  12    2.9699     1.4250     2.1818     3.7779     0.8254     2.8584 
   C  13    2.9733     1.4280     1.6502     3.7810     0.8250     2.4772 
   C  14    3.7747     2.1774     2.4699     4.5890     1.4259     3.2968 
   C  15    3.7753     2.1769     2.8542     4.5902     1.4250     3.5946 

              C   7      C   8      O   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8249     0.0000 
   O   9    3.7810     2.9762     0.0000 
   O  10    1.6466     2.4715     5.4072     0.0000 
   O  11    2.1769     2.8542     5.4049     1.4280     0.0000 
   C  12    2.4751     1.6502     1.4315     4.1217     4.3614     0.0000 
   C  13    2.8601     2.1873     1.4250     4.3658     4.1237     1.4315 
   C  14    3.5951     2.8595     0.8269     5.1482     4.9434     1.6541 
   C  15    3.3004     2.4756     0.8250     4.9470     5.1469     0.8254 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8197     0.0000 
   C  15    1.6466     1.4301     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   N   3    0.0000000000
   B   4    0.0000000000
   N   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
   O  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000


BOND ANGLES
   4    1    6   B2  Car  Car    119.631
   4    1    7   B2  Car  Car    119.862
   6    1    7  Car  Car  Car    120.507
   3    2    5  Nar  Car  Npl    120.009
   3    2    8  Nar  Car  Car    119.633
   5    2    8  Npl  Car  Car    120.359
   2    3    6  Car  Nar  Car    120.154
   1    4   10  Car   B2   O3    119.923
   1    4   11  Car   B2   O3    120.009
  10    4   11   O3   B2   O3    120.069
   2    5   12  Car  Npl   C3    119.617
   2    5   13  Car  Npl   C3    120.069
  12    5   13   C3  Npl   C3    120.315
   1    6    3  Car  Car  Nar    119.631
   1    7    8  Car  Car  Car    120.108
   2    8    7  Car  Car  Car    119.966
  14    9   15   C3   O3   C3    119.923
   5   12   15  Npl   C3   C3    119.370
   5   13   14  Npl   C3   C3    120.216
   9   14   13   O3   C3   C3    119.862
   9   15   12   O3   C3   C3    120.315


TORSION ANGLES
   5    2    3    6    179.974
   8    2    3    6      0.026
   2    3    6    1      0.026
  10    4    1    6    179.974
  10    4    1    7      0.026
  11    4    1    6      0.026
  11    4    1    7    179.974
  12    5    2    3    179.974
  12    5    2    8      0.026
  13    5    2    3      0.026
  13    5    2    8    179.974
   3    6    1    4    179.974
   3    6    1    7      0.026
   8    7    1    4    179.974
   8    7    1    6      0.026
   2    8    7    1      0.026
  14    9   15   12      0.026
  15   12    5    2    179.974
  15   12    5   13      0.026
  14   13    5    2    179.974
  14   13    5   12      0.026
   9   14   13    5      0.026
   9   15   12    5      0.026
   7    8    2    3      0.026
   7    8    2    5    179.974
  15    9   14   13      0.026