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4-Chloro-8-hydroxy-2-methylquinoline
4-Chloro-8-hydroxy-2-methylquinoline ID: CHH16508
CAS:28507-46-2
Supplier:ChemiK Co.,Ltd.

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SMILES:n1c(cc(c2cccc(c12)O)Cl)C	
FORMULA: C10H8ClNO
MASS: 193.6296
EXACT MASS: 193.0294416
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7175     0.0000 
   C   3    1.2428     0.7175     0.0000 
   C   4    1.4350     1.2427     0.7174     0.0000 
   C   5    1.2428     1.4350     1.2427     0.7175     0.0000 
   C   6    1.8984     2.1525     1.8983     1.2428     0.7175     0.0000 
   C   7    2.1526     2.5870     2.4855     1.8984     1.2428     0.7175 
   C   8    1.8984     2.4855     2.5870     2.1525     1.4350     1.2427 
   C   9    1.2428     1.8983     2.1525     1.8984     1.2428     1.4350 
   C  10    0.7175     1.2427     1.4350     1.2427     0.7175     1.2427 
   C  11    1.2427     0.7175     1.2428     1.8983     2.1525     2.8700 
   O  12    1.4350     2.1525     2.5870     2.4855     1.8984     2.1525 
  Cl  13    2.1525     1.8983     1.2427     0.7175     1.2427     1.4350 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7175     0.0000 
   C   9    1.2428     0.7175     0.0000 
   C  10    1.4350     1.2428     0.7175     0.0000 
   C  11    3.2880     3.1275     2.4855     1.8983     0.0000 
   O  12    1.8984     1.2428     0.7175     1.2428     2.5870     0.0000 
  Cl  13    2.1525     2.5870     2.4855     1.8983     2.4855     3.1275 

             Cl  13
              -----------
  Cl  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2463747342
   C   2    0.0602953344
   C   3    0.0261383949
   C   4    0.0603697125
   C   5    0.0314052073
   C   6    0.0025461998
   C   7    0.0034091247
   C   8    0.0436122327
   C   9    0.2131406533
   C  10    0.1204515944
   C  11    0.0521183724
   O  12   -0.2849578436
  Cl  13   -0.0821542484


BOND ANGLES
   2    1   10  Car  Nar  Car    119.991
   1    2    3  Nar  Car  Car    120.006
   1    2   11  Nar  Car   C3    119.991
   3    2   11  Car  Car   C3    120.002
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.005
   3    4   13  Car  Car   Cl    119.999
   5    4   13  Car  Car   Cl    119.995
   4    5    6  Car  Car  Car    120.009
   4    5   10  Car  Car  Car    119.995
   6    5   10  Car  Car  Car    119.995
   5    6    7  Car  Car  Car    120.009
   6    7    8  Car  Car  Car    119.995
   7    8    9  Car  Car  Car    120.002
   8    9   10  Car  Car  Car    119.995
   8    9   12  Car  Car   O3    120.002
  10    9   12  Car  Car   O3    120.002
   1   10    9  Nar  Car  Car    119.995
   5   10    9  Car  Car  Car    120.002
   1   10    5  Nar  Car  Car    120.002


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