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6-fluoro-3,4-dihydroquinolin-2(1H)-one
6-fluoro-3,4-dihydroquinolin-2(1H)-one
ID: Cs00270
CAS:75893-82-2
Supplier:Clousem

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SMILES:c1c(cc2c(c1)NC(=O)CC2)F	
FORMULA: C9H8FNO
MASS: 165.1643
EXACT MASS: 165.0589921
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   F   7    2.6379     1.5230     2.6379     4.0294     4.5689     4.0295 
   C   8    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   C   9    5.4912     5.2758     4.0294     2.6379     3.0460     4.5689 
   C  10    5.2758     5.4912     4.5689     3.0460     2.6379     4.0294 
   N  11    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   O  12    6.6386     6.9793     6.0920     4.5690     4.0295     5.2758 

              F   7      C   8      C   9      C  10      N  11      O  12
              ------------------------------------------------------------------
   F   7    0.0000 
   C   8    5.2758     0.0000 
   C   9    6.6385     1.5230     0.0000 
   C  10    6.9792     2.6379     1.5230     0.0000 
   N  11    6.0920     3.0460     2.6379     1.5230     0.0000 
   O  12    8.4797     4.0295     2.6379     1.5230     2.6379     0.0000 




ATOMIC CHARGES
   C   1    0.0309510865
   C   2    0.1399138428
   C   3    0.0266693526
   C   4   -0.0041209222
   C   5    0.0695247783
   C   6    0.0185809169
   F   7   -0.2041811978
   C   8    0.0373725358
   C   9    0.0918924881
   C  10    0.2458901986
   N  11   -0.1795191531
   O  12   -0.2729739265


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   1    2    3  Car  Car  Car    119.999
   1    2    7  Car  Car    F    120.001
   3    2    7  Car  Car    F    120.000
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    120.001
   3    4    8  Car  Car   C3    120.000
   5    4    8  Car  Car   C3    119.999
   4    5    6  Car  Car  Car    120.001
   4    5   11  Car  Car  Nam    119.999
   6    5   11  Car  Car  Nam    120.000
   1    6    5  Car  Car  Car    120.000
   4    8    9  Car   C3   C3    120.000
   8    9   10   C3   C3   C2    120.001
   9   10   11   C3   C2  Nam    120.001
   9   10   12   C3   C2   O2    119.999
  11   10   12  Nam   C2   O2    120.000
   5   11   10  Car  Nam   C2    120.000


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