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3-FLUORO-4-METHYLBENZONITRILE
3-FLUORO-4-METHYLBENZONITRILE ID: AC-5995
CAS:170572-49-3
Supplier:Hangzhou APIChem Technology Co., Limited

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SMILES:N#Cc1cc(c(cc1)C)F	
FORMULA: C8H6FN
MASS: 135.1383
EXACT MASS: 135.0484274
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7411     0.0000 
   C   3    2.2250     1.9648     0.0000 
   C   4    2.6770     2.2292     0.7468     0.0000 
   C   5    1.4833     1.2885     0.7417     1.2900     0.0000 
   C   6    1.2822     0.7417     1.2864     1.4875     0.7447     0.0000 
   C   7    2.5665     1.9607     1.2875     0.7432     1.4859     1.2843 
   F   8    2.6800     2.5764     0.7432     1.2875     1.2879     1.9673 
   C   9    1.9587     1.2822     1.4859     1.2879     1.2875     0.7411 
   C  10    3.3978     2.9667     1.2864     0.7375     1.9634     2.2250 

              C   7      F   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   F   8    1.9653     0.0000 
   C   9    0.7417     2.2291     0.0000 
   C  10    1.2843     1.4838     1.9621     0.0000 



ATOMIC CHARGES
   N   1   -0.1908297613
   C   2    0.1004858410
   C   3    0.1368120201
   C   4    0.0056478682
   C   5    0.0395775972
   C   6    0.0706620567
   C   7   -0.0013505747
   F   8   -0.2044840582
   C   9    0.0100974170
   C  10    0.0333815940


BOND ANGLES
   1    2    6   N1   C1  Car    119.697
   5    3    8  Car  Car    F    120.301
   4    3    5  Car  Car  Car    120.143
   4    3    8  Car  Car    F    119.556
   7    4   10  Car  Car   C3    120.301
   3    4    7  Car  Car  Car    119.556
   3    4   10  Car  Car   C3    120.143
   3    5    6  Car  Car  Car    119.863
   2    6    5   C1  Car  Car    120.188
   5    6    9  Car  Car  Car    120.116
   2    6    9   C1  Car  Car    119.697
   4    7    9  Car  Car  Car    120.301
   6    9    7  Car  Car  Car    120.021


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