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2'-Fluoroacetanilide
2'-Fluoroacetanilide 
ID: BP-11831
CAS:399-31-5
Supplier:BroadPharm

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SMILES:N(c1c(F)cccc1)C(=O)C	
FORMULA: C8H8FNO
MASS: 153.1536
EXACT MASS: 153.0589921
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      F   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    1.2507     2.1654     0.0000 
   C   4    2.1655     1.2508     3.3083     0.0000 
   O   5    2.1654     3.3074     1.2500     4.3309     0.0000 
   F   6    2.4978     2.1625     3.7484     1.2470     4.5056     0.0000 
   C   7    2.1654     1.2507     2.5000     2.1667     3.7500     3.3054 
   C   8    2.1666     2.5013     1.2507     3.7521     2.1654     4.5060 
   C   9    3.3075     2.1655     4.3309     1.2500     5.4493     2.1633 
   C  10    3.3074     2.1654     3.7500     2.5014     5.0000     3.7484 
   C  11    3.7500     2.5000     4.5071     2.1655     5.7284     3.3055 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.1654     0.0000 
   C   9    2.5014     4.5087     0.0000 
   C  10    1.2500     3.3074     2.1667     0.0000 
   C  11    2.1654     4.3309     1.2508     1.2507     0.0000 



ATOMIC CHARGES
   N   1   -0.1769206885
   C   2    0.1007101556
   C   3    0.2461261519
   C   4    0.1553186376
   O   5   -0.2729707096
   F   6   -0.2027981344
   C   7    0.0188805559
   C   8    0.0967981773
   C   9    0.0309842981
   C  10    0.0014803082
   C  11    0.0023912479


BOND ANGLES
   2    1    3  Car  Nam   C2    119.982
   1    2    4  Nam  Car  Car    119.980
   1    2    7  Nam  Car  Car    119.982
   4    2    7  Car  Car  Car    120.037
   1    3    5  Nam   C2   O2    119.982
   1    3    8  Nam   C2   C3    120.035
   5    3    8   O2   C2   C3    119.982
   2    4    6  Car  Car    F    119.941
   2    4    9  Car  Car  Car    119.980
   6    4    9    F  Car  Car    120.079
   2    7   10  Car  Car  Car    119.982
   4    9   11  Car  Car  Car    119.980
   7   10   11  Car  Car  Car    119.982
   9   11   10  Car  Car  Car    120.037


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