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1-chloro-9H-indeno[2,1-c]pyridin-9-one
1-chloro-9H-indeno[2,1-c]pyridin-9-one
ID: BP-11922
Supplier:BroadPharm

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SMILES:c12C(=O)c3c(c1ccnc2Cl)cccc3	
FORMULA: C12H6ClNO
MASS: 215.6351
EXACT MASS: 215.0137915
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7425     0.0000 
   C   3    0.6010     0.9042     0.0000 
   C   4    1.2000     0.6010     1.0398     0.0000 
   C   5    1.0398     0.8500     0.6000     0.6010     0.0000 
   C   6    0.6000     1.3139     1.0398     1.8000     1.5878     0.0000 
   N   7    1.0398     1.7798     1.2000     2.1636     1.8000     0.6010 
   O   8    1.1447     0.5968     1.4755     1.0199     1.4291     1.5891 
  Cl   9    1.0341     1.5898     1.5831     2.1586     2.0740     0.5954 
   C  10    1.0375     1.5001     0.5975     1.5863     1.0378     1.1985 
   C  11    1.1985     1.8507     1.0378     2.0776     1.5865     1.0375 
   C  12    1.8000     1.1603     1.5878     0.6000     1.0398     2.4000 
   C  13    1.5863     1.4353     1.0378     1.0375     0.5975     2.0776 
   C  14    2.1636     1.6408     1.8000     1.0398     1.2000     2.7498 
   C  15    2.0776     1.7450     1.5865     1.1985     1.0378     2.6147 

              N   7      O   8     Cl   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    2.1464     0.0000 
  Cl   9    1.0375     1.6524     0.0000 
   C  10    1.0378     2.0605     1.7939     0.0000 
   C  11    0.5975     2.3368     1.5821     0.6000     0.0000 
   C  12    2.7498     1.4090     2.7449     2.0776     2.6147     0.0000 
   C  13    2.1626     1.9939     2.6092     1.2000     1.8000     1.1985 
   C  14    3.0000     1.9830     3.1704     2.1626     2.7490     0.6010 
   C  15    2.7490     2.2183     3.1117     1.8000     2.4000     1.0375 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.0378     0.0000 
   C  15    0.6000     0.5975     0.0000 



ATOMIC CHARGES
   C   1    0.0674057399
   C   2    0.1978418413
   C   3    0.0070341205
   C   4    0.0390315656
   C   5    0.0033033691
   C   6    0.1413665189
   N   7   -0.2323320634
   O   8   -0.2864918922
  Cl   9   -0.0612309036
   C  10    0.0208403159
   C  11    0.0998442055
   C  12    0.0031797625
   C  13    0.0001032206
   C  14    0.0001016481
   C  15    0.0000025514


BOND ANGLES
   2    1    3   C2  Car  Car     83.887
   2    1    6   C2  Car  Car    156.169
   3    1    6  Car  Car  Car    119.944
   1    2    4  Car   C2  Car    126.226
   1    2    8  Car   C2   O2    117.029
   4    2    8  Car   C2   O2    116.745
   1    3    5  Car  Car  Car    119.944
   1    3   10  Car  Car  Car    119.917
   5    3   10  Car  Car  Car    120.140
   2    4   12   C2  Car  Car    150.056
   2    4    5   C2  Car  Car     90.000
   5    4   12  Car  Car  Car    119.944
   3    5   13  Car  Car  Car    120.140
   3    5    4  Car  Car  Car    119.944
   4    5   13  Car  Car  Car    119.917
   1    6    7  Car  Car  Nar    119.944
   1    6    9  Car  Car   Cl    119.790
   7    6    9  Nar  Car   Cl    120.266
   6    7   11  Car  Nar  Car    119.917
   3   10   11  Car  Car  Car    120.140
   7   11   10  Nar  Car  Car    120.140
   4   12   14  Car  Car  Car    119.944
   5   13   15  Car  Car  Car    120.140
  12   14   15  Car  Car  Car    119.917
  13   15   14  Car  Car  Car    120.140


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