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9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
ID: BP-12010
CAS:40528-00-5
Supplier:BroadPharm

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SMILES:n1c2c(c(c3c1cccc3)Cl)CCC2	
FORMULA: C12H10ClN
MASS: 203.6675
EXACT MASS: 203.0501770
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2000     0.0000 
   C   3    1.0378     0.5975     0.0000 
   C   4    1.0398     0.6010     1.0375     0.0000 
   C   5    0.5975     1.0378     0.6000     1.1985     0.0000 
   C   6    0.6010     1.0398     1.1985     0.6000     1.0375     0.0000 
  Cl   7    1.7958     0.5958     1.0341     1.0362     1.5825     1.5839 
   C   8    1.5350     1.0937     0.5995     1.6187     0.9692     1.7889 
   C   9    1.0933     1.5380     0.9726     1.7907     0.6008     1.6192 
   C  10    1.5890     1.0416     1.5869     0.6010     1.7995     1.0398 
   C  11    1.5616     1.5616     0.9724     1.9853     0.9724     1.9853 
   C  12    1.0416     1.5890     1.7995     1.0398     1.5869     0.6010 
   C  13    1.7995     1.5869     2.0750     1.0375     2.1600     1.1985 
   C  14    1.5869     1.7995     2.1600     1.1985     2.0750     1.0375 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.3001     0.0000 
   C   9    2.0040     0.9708     0.0000 
   C  10    1.2000     2.1323     2.3908     0.0000 
   C  11    1.8731     0.5992     0.6026     2.5548     0.0000 
   C  12    2.0760     2.3889     2.1321     1.2000     2.5548     0.0000 
   C  13    1.7974     2.6521     2.7605     0.5975     3.0150     1.0378 
   C  14    2.1600     2.7593     2.6524     1.0378     3.0150     0.5975 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 



ATOMIC CHARGES
   N   1   -0.2499323419
   C   2    0.0562416867
   C   3    0.0019929901
   C   4    0.0279379111
   C   5    0.0557798595
   C   6    0.0816744338
  Cl   7   -0.0824848212
   C   8    0.0288064571
   C   9    0.0458463671
   C  10    0.0023292094
   C  11    0.0110276651
   C  12    0.0191110773
   C  13    0.0001243793
   C  14    0.0015451266


BOND ANGLES
   5    1    6  Car  Nar  Car    119.917
   3    2    7  Car  Car   Cl    120.140
   3    2    4  Car  Car  Car    119.917
   4    2    7  Car  Car   Cl    119.944
   2    3    5  Car  Car  Car    120.140
   2    3    8  Car  Car   C3    132.057
   5    3    8  Car  Car   C3    107.803
   6    4   10  Car  Car  Car    119.944
   2    4    6  Car  Car  Car    119.944
   2    4   10  Car  Car  Car    120.113
   1    5    3  Nar  Car  Car    120.140
   3    5    9  Car  Car   C3    108.185
   1    5    9  Nar  Car   C3    131.676
   1    6    4  Nar  Car  Car    119.944
   4    6   12  Car  Car  Car    119.944
   1    6   12  Nar  Car  Car    120.113
   3    8   11  Car   C3   C3    108.434
   5    9   11  Car   C3   C3    107.816
   4   10   13  Car  Car  Car    119.917
   8   11    9   C3   C3   C3    107.762
   6   12   14  Car  Car  Car    119.917
  10   13   14  Car  Car  Car    120.140
  12   14   13  Car  Car  Car    120.140


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