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2-Chloroquinoline-4-Carboxylic Acid
2-Chloroquinoline-4-Carboxylic Acid ID: CHH16527
CAS:5467-57-2
Supplier:ChemiK Co.,Ltd.

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SMILES:n1c(cc(c2ccccc12)C(=O)O)Cl	
FORMULA: C10H6ClNO2
MASS: 207.6131
EXACT MASS: 207.0087061
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    1.2427     0.7175     0.0000 
   C   4    1.4350     1.2428     0.7175     0.0000 
   C   5    1.2427     1.4350     1.2427     0.7175     0.0000 
   C   6    1.8983     2.1525     1.8983     1.2427     0.7175     0.0000 
   C   7    2.1525     2.5870     2.4855     1.8983     1.2428     0.7175 
   C   8    1.8983     2.4855     2.5870     2.1525     1.4350     1.2428 
   C   9    1.2427     1.8983     2.1525     1.8983     1.2427     1.4350 
   C  10    0.7174     1.2427     1.4350     1.2428     0.7175     1.2428 
   C  11    2.1525     1.8984     1.2428     0.7175     1.2428     1.4350 
   O  12    2.5869     2.4855     1.8983     1.2427     1.4350     1.2427 
   O  13    2.5869     2.1525     1.4350     1.2427     1.8983     2.1525 
  Cl  14    1.2428     0.7175     1.2427     1.8984     2.1525     2.8700 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7175     0.0000 
   C   9    1.2427     0.7175     0.0000 
   C  10    1.4350     1.2428     0.7175     0.0000 
   C  11    2.1525     2.5870     2.4855     1.8983     0.0000 
   O  12    1.8984     2.4855     2.5869     2.1525     0.7174     0.0000 
   O  13    2.8700     3.2880     3.1275     2.4855     0.7175     1.2427 
  Cl  14    3.2880     3.1275     2.4855     1.8983     2.4855     3.1275 

              O  13     Cl  14
              ----------------------
   O  13    0.0000 
  Cl  14    2.5869     0.0000 



ATOMIC CHARGES
   N   1   -0.2339506631
   C   2    0.1385066725
   C   3    0.0373761132
   C   4    0.0835765413
   C   5    0.0241267861
   C   6    0.0017069457
   C   7    0.0001004827
   C   8    0.0015450341
   C   9    0.0191313935
   C  10    0.0824391044
   C  11    0.3878770035
   O  12   -0.2405503961
   O  13   -0.2405503961
  Cl  14   -0.0613346215


BOND ANGLES
   2    1   10  Car  Nar  Car    120.005
   1    2    3  Nar  Car  Car    119.995
   1    2   14  Nar  Car   Cl    120.009
   3    2   14  Car  Car   Cl    119.995
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.991
   3    4   11  Car  Car  Cac    120.002
   5    4   11  Car  Car  Cac    120.006
   4    5    6  Car  Car  Car    119.991
   4    5   10  Car  Car  Car    120.006
   6    5   10  Car  Car  Car    120.002
   5    6    7  Car  Car  Car    119.995
   6    7    8  Car  Car  Car    120.002
   7    8    9  Car  Car  Car    119.995
   8    9   10  Car  Car  Car    120.009
   1   10    9  Nar  Car  Car    120.005
   5   10    9  Car  Car  Car    119.995
   1   10    5  Nar  Car  Car    119.999
  12   11   13 O.co2  Cac O.co2    120.005
   4   11   12  Car  Cac O.co2    119.999
   4   11   13  Car  Cac O.co2    119.995


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