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4-CHLORO-6-FLUOROQUINOLINE
4-CHLORO-6-FLUOROQUINOLINE
ID: BP-11164
CAS:391-77-5
Supplier:BroadPharm

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SMILES:c12c(nccc1Cl)ccc(c2)F	
FORMULA: C9H5ClFN
MASS: 181.5941
EXACT MASS: 181.0094551
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4959     0.0000 
   C   3    1.4917     2.5598     0.0000 
   N   4    2.6004     1.5004     2.9542     0.0000 
   C   5    1.4882     2.5789     2.6125     3.9547     0.0000 
   C   6    2.5872     1.4927     3.9319     2.5876     2.9753     0.0000 
   C   7    2.6126     3.0162     3.9903     4.5165     1.5039     2.6096 
   C   8    3.0381     2.6376     2.5705     1.5380     4.5262     3.9991 
   C   9    2.6586     3.0508     1.5112     2.6369     4.0203     4.5435 
  Cl  10    2.5686     3.9292     1.5085     4.4627     2.9950     5.1557 
   C  11    3.0187     2.6334     4.5102     4.0037     2.5848     1.5423 
   F  12    3.9668     4.5061     5.2083     6.0064     2.5958     3.9820 

              C   7      C   8      C   9     Cl  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.4655     0.0000 
   C   9    5.2712     1.5083     0.0000 
  Cl  10    4.4989     3.9433     2.5838     0.0000 
   C  11    1.4875     5.2710     5.4940     5.3987     0.0000 
   F  12    1.4900     6.9161     6.5942     5.3960     2.5815     0.0000 




ATOMIC CHARGES
   C   1    0.0305039673
   C   2    0.0822634974
   C   3    0.0607128879
   N   4   -0.2437813539
   C   5    0.0319753072
   C   6    0.0214283259
   C   7    0.1402675892
   C   8    0.0996946262
   C   9    0.0320665452
  Cl  10   -0.0821434093
   C  11    0.0311822142
   F  12   -0.2041701971


BOND ANGLES
   2    1    3  Car  Car  Car    117.918
   2    1    5  Car  Car  Car    119.587
   3    1    5  Car  Car  Car    122.495
   1    2    4  Car  Car  Nar    120.424
   1    2    6  Car  Car  Car    119.921
   4    2    6  Nar  Car  Car    119.655
   1    3    9  Car  Car  Car    124.578
   1    3   10  Car  Car   Cl    117.765
   9    3   10  Car  Car   Cl    117.657
   2    4    8  Car  Nar  Car    120.472
   1    5    7  Car  Car  Car    121.660
   2    6   11  Car  Car  Car    120.364
   5    7   11  Car  Car  Car    119.550
   5    7   12  Car  Car    F    120.228
  11    7   12  Car  Car    F    120.222
   4    8    9  Nar  Car  Car    119.901
   3    9    8  Car  Car  Car    116.707
   6   11    7  Car  Car  Car    118.918


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