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2-Fluoro-5-methylbenzonitrile
2-Fluoro-5-methylbenzonitrile
ID: BP-11296
CAS:64113-84-4
Supplier:BroadPharm

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SMILES:c1(C#N)c(ccc(c1)C)F	
FORMULA: C8H6FN
MASS: 135.1383
EXACT MASS: 135.0484274
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    2.4978     0.0000 
   C   3    1.2543     1.2435     0.0000 
   C   4    1.2500     3.3055     2.1676     0.0000 
   C   5    1.2507     3.3054     2.1708     2.1654     0.0000 
   C   6    2.1654     4.5056     3.3109     1.2507     2.5000     0.0000 
   C   7    2.1625     4.5020     3.3096     2.4978     1.2471     2.1634 
   F   8    2.1676     3.3047     2.5000     1.2543     3.3109     2.1708 
   C   9    2.4978     4.9956     3.7521     2.1625     2.1634     1.2471 
   C  10    3.3096     5.4485     4.3375     3.7521     2.1667     3.3083 

              C   7      F   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   F   8    3.7521     0.0000 
   C   9    1.2500     3.3096     0.0000 
   C  10    1.2543     5.0064     2.1676     0.0000 



ATOMIC CHARGES
   C   1    0.0954963403
   N   2   -0.1907587727
   C   3    0.1026760458
   C   4    0.1496420636
   C   5    0.0082952516
   C   6    0.0300117921
   C   7   -0.0210385866
   F   8   -0.2034625567
   C   9   -0.0019107227
   C  10    0.0310491452


BOND ANGLES
   3    1    4   C1  Car  Car    119.887
   3    1    5   C1  Car  Car    120.131
   4    1    5  Car  Car  Car    119.982
   1    3    2  Car   C1   N1    179.713
   1    4    6  Car  Car  Car    119.982
   1    4    8  Car  Car    F    119.887
   6    4    8  Car  Car    F    120.131
   1    5    7  Car  Car  Car    119.941
   4    6    9  Car  Car  Car    119.941
   5    7    9  Car  Car  Car    120.077
   5    7   10  Car  Car   C3    120.037
   9    7   10  Car  Car   C3    119.887
   6    9    7  Car  Car  Car    120.077


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