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4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
ID: BP-11147
CAS:64951-58-2
Supplier:BroadPharm

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SMILES:c12c(c(cc(n1)C)Cl)cccc2OC	
FORMULA: C11H10ClNO
MASS: 207.6562
EXACT MASS: 207.0450916
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4250     0.0000 
   N   3    1.4522     2.4911     0.0000 
   C   4    2.4804     1.4460     2.8625     0.0000 
   C   5    2.8885     2.5125     2.4891     1.4425     0.0000 
   C   6    2.5125     2.8885     1.4487     2.4783     1.4250     0.0000 
   C   7    1.4487     2.4891     2.5125     3.8087     4.3371     3.8358 
  Cl   8    3.7822     2.4840     4.2917     1.4292     2.4819     3.7808 
   C   9    2.4783     1.4425     3.8087     2.5125     3.8335     4.3309 
   O  10    2.4675     3.7650     2.8762     4.9479     5.1760     4.3248 
   C  11    2.8885     2.5125     4.3407     3.8375     5.0250     5.2231 
   C  12    2.5125     2.8885     3.8399     4.3345     5.2231     5.0250 
   C  13    3.8148     4.3102     2.4918     3.7762     2.4591     1.4218 
   C  14    3.7394     4.9056     4.2616     6.1950     6.5337     5.7103 

              C   7     Cl   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
  Cl   8    4.9731     0.0000 
   C   9    2.8625     2.8905     0.0000 
   O  10    1.4000     6.2216     4.2625     0.0000 
   C  11    2.4911     4.3366     1.4460     3.7664     0.0000 
   C  12    1.4522     5.1904     2.4804     2.4696     1.4250     0.0000 
   C  13    5.0043     4.9410     5.7527     5.2031     6.6132     6.3015 
   C  14    2.4166     7.3895     5.1045     1.3856     4.2505     2.8257 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    6.5541     0.0000 



ATOMIC CHARGES
   C   1    0.1154809602
   C   2    0.0312354800
   N   3   -0.2465460279
   C   4    0.0603675172
   C   5    0.0261383755
   C   6    0.0602928232
   C   7    0.1561889450
  Cl   8   -0.0821542574
   C   9    0.0025418472
   O  10   -0.4699086797
   C  11    0.0032391516
   C  12    0.0384636653
   C  13    0.0521183618
   C  14    0.2525418381


BOND ANGLES
   2    1    3  Car  Car  Nar    119.949
   2    1    7  Car  Car  Car    120.030
   3    1    7  Nar  Car  Car    120.020
   1    2    4  Car  Car  Car    119.520
   1    2    9  Car  Car  Car    119.601
   4    2    9  Car  Car  Car    120.879
   1    3    6  Car  Nar  Car    120.020
   2    4    8  Car  Car   Cl    119.520
   2    4    5  Car  Car  Car    120.879
   5    4    8  Car  Car   Cl    119.601
   4    5    6  Car  Car  Car    119.601
   3    6    5  Nar  Car  Car    120.030
   5    6   13  Car  Car   C3    119.495
   3    6   13  Nar  Car   C3    120.475
   1    7   10  Car  Car   O3    120.030
   1    7   12  Car  Car  Car    120.020
  10    7   12   O3  Car  Car    119.949
   2    9   11  Car  Car  Car    120.879
   7   10   14  Car   O3   C3    120.344
   9   11   12  Car  Car  Car    119.520
   7   12   11  Car  Car  Car    119.949


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