Sign In Join Free

Products Information

1,2-dihydro-2-oxopyrimidin-5-yl-5-boronic acid
1,2-dihydro-2-oxopyrimidin-5-yl-5-boronic acid ID: B187226
CAS:373384-19-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(B(O)O)c[nH]c(=O)nc1	
FORMULA: C4H5BN2O3
MASS: 139.9051
EXACT MASS: 140.0393224
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      B   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4915     0.0000 
   N   3    1.2917     0.7458     0.0000 
   N   4    1.2915     0.7504     1.2956     0.0000 
   B   5    0.7468     2.2383     1.9735     1.9736     0.0000 
   C   6    0.7458     1.2917     1.4915     0.7432     1.2935     0.0000 
   C   7    0.7432     1.2956     0.7504     1.4958     1.2875     1.2915 
   O   8    2.2420     0.7504     1.2956     1.3000     2.9887     1.9776 
   O   9    1.2900     2.6875     2.2363     2.5815     0.7417     1.9713 
   O  10    1.2958     2.6928     2.5875     2.2383     0.7504     1.4951 

              C   7      O   8      O   9      O  10
              --------------------------------------------
   C   7    0.0000 
   O   8    1.9818     0.0000 
   O   9    1.4859     3.4208     0.0000 
   O  10    1.9735     3.4260     1.2921     0.0000 



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


BOND ANGLES
   5    1    6   B2  Car  Car    120.143
   5    1    7   B2  Car  Car    119.556
   6    1    7  Car  Car  Car    120.301
   3    2    8  Nar  Car   O2    119.982
   3    2    4  Nar  Car  Nar    119.982
   4    2    8  Nar  Car   O2    120.037
   2    3    7  Car  Nar  Car    119.982
   2    4    6  Car  Nar  Car    119.717
   1    5    9  Car   B2   O3    120.143
   1    5   10  Car   B2   O3    119.876
   9    5   10   O3   B2   O3    119.982
   1    6    4  Car  Car  Nar    120.301
   1    7    3  Car  Car  Nar    119.717


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