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4'-Fluoro-2'-methoxyacetophenone,
4'-Fluoro-2'-methoxyacetophenone,
ID: BP-11177
CAS:51788-80-8
Supplier:BroadPharm

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SMILES:c1(c(cc(cc1)F)OC)C(=O)C	
FORMULA: C9H9FO2
MASS: 168.1650
EXACT MASS: 168.0586577
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2471     0.0000 
   C   3    2.1634     1.2500     0.0000 
   C   4    1.2543     2.1667     2.5014     0.0000 
   C   5    1.2500     2.1634     3.3061     2.1676     0.0000 
   O   6    2.1634     2.5000     3.7500     3.3083     1.2471     0.0000 
   C   7    2.5000     2.1634     1.2471     2.1676     3.7500     4.5061 
   C   8    2.1676     2.5014     2.1667     1.2500     3.3088     4.3309 
   O   9    2.1625     1.2507     2.1654     3.3096     2.4978     2.1654 
   F  10    3.7500     3.3061     2.1634     3.3088     5.0000     5.7276 
   C  11    2.1676     3.3083     4.3309     2.5000     1.2543     2.1667 
   C  12    3.3096     2.1708     2.5050     4.3375     3.7521     3.3109 

              C   7      C   8      O   9      F  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2543     0.0000 
   O   9    3.3055     3.7521     0.0000 
   F  10    1.2500     2.1676     4.3288     0.0000 
   C  11    4.5081     3.7500     3.7521     5.7292     0.0000 
   C  12    3.7521     4.5140     1.2543     4.5087     5.0064     0.0000 




ATOMIC CHARGES
   C   1    0.0687777656
   C   2    0.1436457013
   C   3    0.0665921207
   C   4    0.0081828535
   C   5    0.1764098481
   O   6   -0.2912210017
   C   7    0.1431681831
   C   8    0.0299331875
   O   9   -0.4712603341
   F  10   -0.2040664607
   C  11    0.0773684145
   C  12    0.2524697222


BOND ANGLES
   2    1    4  Car  Car  Car    120.037
   2    1    5  Car  Car   C2    120.077
   4    1    5  Car  Car   C2    119.887
   1    2    3  Car  Car  Car    120.077
   1    2    9  Car  Car   O3    119.941
   3    2    9  Car  Car   O3    119.982
   2    3    7  Car  Car  Car    120.077
   1    4    8  Car  Car  Car    119.887
   1    5    6  Car   C2   O2    120.077
   1    5   11  Car   C2   C3    119.887
   6    5   11   O2   C2   C3    120.037
   8    7   10  Car  Car    F    119.887
   3    7    8  Car  Car  Car    120.037
   3    7   10  Car  Car    F    120.077
   4    8    7  Car  Car  Car    119.887
   2    9   12  Car   O3   C3    120.131


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