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5-Fluoro-nicotinic acid
5-Fluoro-nicotinic acid ID: B187306
CAS:402-66-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)O)cc(F)cnc1	
FORMULA: C6H4FNO2
MASS: 141.0999
EXACT MASS: 141.0226066
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7675     0.0000 
   N   3    1.2894     1.9912     0.0000 
   C   4    0.7354     1.3002     1.4875     0.0000 
   O   5    1.3056     0.7375     2.5949     1.5050     0.0000 
   C   6    0.7500     1.3164     0.7375     1.2859     1.9886     0.0000 
   C   7    1.2875     1.9881     1.2956     0.7463     2.2512     1.4900 
   O   8    1.3125     0.7567     2.2492     1.9842     1.2993     1.5117 
   F   9    1.9853     2.6170     1.9741     1.3168     2.7291     2.2425 
   C  10    1.4879     2.2554     0.7504     1.2885     2.7023     1.2875 

              C   7      O   8      F   9      C  10
              --------------------------------------------
   C   7    0.0000 
   O   8    2.6000     0.0000 
   F   9    0.7530     3.2854     0.0000 
   C  10    0.7458     2.7049     1.2827     0.0000 



ATOMIC CHARGES
   C   1    0.1011107094
   C   2    0.3893332224
   N   3   -0.2397475409
   C   4    0.0393963456
   O   5   -0.2404952732
   C   6    0.1055865424
   C   7    0.1594274330
   O   8   -0.2404952732
   F   9   -0.2025251145
   C  10    0.1284089491


BOND ANGLES
   2    1    4  Cac  Car  Car    119.768
   2    1    6  Cac  Car  Car    120.324
   4    1    6  Car  Car  Car    119.908
   1    2    5  Car  Cac O.co2    120.324
   1    2    8  Car  Cac O.co2    118.875
   5    2    8 O.co2  Cac O.co2    120.801
   6    3   10  Car  Nar  Car    119.834
   1    4    7  Car  Car  Car    120.662
   1    6    3  Car  Car  Nar    120.184
   4    7    9  Car  Car    F    122.872
   4    7   10  Car  Car  Car    119.430
   9    7   10    F  Car  Car    117.698
   3   10    7  Nar  Car  Car    119.982


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