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8-chloro-5-hydroxy-4-phenylquinazolin-2(1H)-one
8-chloro-5-hydroxy-4-phenylquinazolin-2(1H)-one
ID: BP-11752
Supplier:BroadPharm

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SMILES:c12c(nc(=O)[nH]c1c(ccc2O)Cl)c1ccccc1	
FORMULA: C14H9ClN2O2
MASS: 272.6865
EXACT MASS: 272.0352552
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5975     0.0000 
   C   3    0.6000     1.0378     0.0000 
   N   4    1.0375     0.6010     1.1985     0.0000 
   C   5    1.1985     1.0398     1.0375     0.6000     0.0000 
   N   6    1.0378     1.2000     0.5975     1.0398     0.6010     0.0000 
   C   7    0.6010     1.0375     1.0398     1.5869     1.7995     1.5863 
   C   8    1.0398     1.5863     0.6010     1.7995     1.5869     1.0375 
   C   9    1.0378     0.6000     1.5865     1.0398     1.5878     1.8000 
   O  10    1.7939     1.5832     1.5821     1.0342     0.5954     1.0375 
   C  11    1.0416     1.5869     1.2021     2.0791     2.1639     1.7995 
   C  12    1.2021     1.7995     1.0416     2.1639     2.0791     1.5869 
  Cl  13    1.5840     2.0740     1.0363     2.1601     1.7975     1.1965 
   O  14    1.0398     1.1985     1.5878     1.7995     2.1629     2.0776 
   C  15    1.5863     1.0398     2.0776     1.2000     1.8000     2.1636 
   C  16    1.2000     1.0378     1.8000     1.5863     2.0776     2.1626 
   C  17    1.8000     1.5865     2.4000     2.0776     2.6147     2.7490 
   C  18    2.0776     1.5878     2.6147     1.8000     2.4000     2.7498 
   C  19    2.1626     1.8000     2.7490     2.1636     2.7498     3.0000 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   C   9    1.1985     2.0776     0.0000 
   O  10    2.3950     2.0750     2.0740     0.0000 
   C  11    0.6010     1.0398     1.7995     2.7461     0.0000 
   C  12    1.0398     0.6010     2.1629     2.6126     0.6000     0.0000 
  Cl  13    1.7959     0.5959     2.6109     2.1600     1.5840     1.0363 
   O  14    0.6000     1.8000     1.0375     2.7442     1.0398     1.5878 
   C  15    1.7995     2.6150     0.6010     2.1587     2.4006     2.7500 
   C  16    1.0398     2.1636     0.5975     2.6093     1.5890     2.0796 
   C  17    1.5878     2.7498     1.0378     3.1118     2.0796     2.6163 
   C  18    2.1629     3.1174     1.0398     2.7450     2.7500     3.1753 
   C  19    2.0776     3.1743     1.2000     3.1705     2.6150     3.1174 

             Cl  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
  Cl  13    0.0000 
   O  14    2.3959     0.0000 
   C  15    3.1139     1.5869     0.0000 
   C  16    2.7457     0.6010     1.0375     0.0000 
   C  17    3.3368     1.0398     1.1985     0.6000     0.0000 
   C  18    3.6457     1.7995     0.6000     1.1985     1.0375     0.0000 
   C  19    3.7426     1.5863     1.0398     1.0378     0.5975     0.6010 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.0753001171
   C   2    0.0905625385
   C   3    0.1010788521
   N   4   -0.1906927145
   C   5    0.3687610234
   N   6   -0.1898337202
   C   7    0.1986159753
   C   8    0.0756491031
   C   9    0.0179571479
   O  10   -0.2426046145
   C  11    0.0430446209
   C  12    0.0162001539
  Cl  13   -0.0806692217
   O  14   -0.2864671072
   C  15    0.0014996832
   C  16    0.0014996832
   C  17    0.0000486266
   C  18    0.0000486266
   C  19    0.0000012261


BOND ANGLES
   2    1    3  Car  Car  Car    120.140
   2    1    7  Car  Car  Car    119.917
   3    1    7  Car  Car  Car    119.944
   1    2    4  Car  Car  Nar    119.917
   1    2    9  Car  Car  Car    120.140
   4    2    9  Nar  Car  Car    119.944
   1    3    6  Car  Car  Nar    120.140
   1    3    8  Car  Car  Car    119.944
   6    3    8  Nar  Car  Car    119.917
   2    4    5  Car  Nar  Car    119.944
   4    5   10  Nar  Car   O2    119.799
   4    5    6  Nar  Car  Nar    119.944
   6    5   10  Nar  Car   O2    120.258
   3    6    5  Car  Nar  Car    119.917
   1    7   11  Car  Car  Car    120.113
   1    7   14  Car  Car   O3    119.944
  11    7   14  Car  Car   O3    119.944
   3    8   12  Car  Car  Car    120.113
   3    8   13  Car  Car   Cl    119.944
  12    8   13  Car  Car   Cl    119.944
   2    9   15  Car  Car  Car    119.944
   2    9   16  Car  Car  Car    120.140
  15    9   16  Car  Car  Car    119.917
   7   11   12  Car  Car  Car    119.944
   8   12   11  Car  Car  Car    119.944
   9   15   18  Car  Car  Car    119.944
   9   16   17  Car  Car  Car    120.140
  16   17   19  Car  Car  Car    120.140
  15   18   19  Car  Car  Car    119.944
  17   19   18  Car  Car  Car    119.917


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    7    179.974
   9    2    1    3    179.974
   9    2    1    7      0.026
   6    3    1    2      0.026
   6    3    1    7    179.974
   8    3    1    2    179.974
   8    3    1    7      0.026
   5    4    2    1      0.026
   5    4    2    9    179.974
  10    5    4    2    179.974
   6    5    4    2      0.026
   5    6    3    1      0.026
   5    6    3    8    179.974
  11    7    1    2    179.974
  11    7    1    3      0.026
  14    7    1    2      0.026
  14    7    1    3    179.974
  12    8    3    1      0.026
  12    8    3    6    179.974
  13    8    3    1    179.974
  13    8    3    6      0.026
  15    9    2    1    179.974
  15    9    2    4      0.026
  16    9    2    1      0.026
  16    9    2    4    179.974
  12   11    7    1      0.026
  12   11    7   14    179.974
  11   12    8    3      0.026
  11   12    8   13    179.974
  18   15    9    2    179.974
  18   15    9   16      0.026
  17   16    9    2    179.974
  17   16    9   15      0.026
  19   17   16    9      0.026
  19   18   15    9      0.026
  17   19   18   15      0.026
   3    6    5    4      0.026
   3    6    5   10    179.974
   7   11   12    8      0.026
  18   19   17   16      0.026