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Products Information

2,4-Dimethoxy-5-fluoropyrimidine
2,4-Dimethoxy-5-fluoropyrimidine ID: B187336
CAS:4330-22-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cnc1OC)F)OC	
FORMULA: C6H7FN2O2
MASS: 158.1304
EXACT MASS: 158.0491557
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    0.8233     1.4280     0.0000 
   C   4    1.4280     0.8233     1.6500     0.0000 
   N   5    1.4250     1.6466     0.8233     1.4280     0.0000 
   C   6    1.6466     1.4250     1.4280     0.8233     0.8250     0.0000 
   F   7    2.1821     1.4280     2.4750     0.8250     2.1821     1.4280 
   O   8    1.4321     0.8305     2.1856     1.4333     2.4771     2.1851 
   O   9    1.4301     2.1835     0.8250     2.4750     1.4259     2.1807 
   C  10    2.1848     1.4321     2.8601     1.6538     2.9763     2.4771 
   C  11    1.6500     2.4750     1.4280     2.9741     2.1802     2.8559 

              F   7      O   8      O   9      C  10      C  11
              -------------------------------------------------------
   F   7    0.0000 
   O   8    1.6538     0.0000 
   O   9    3.3000     2.8622     0.0000 
   C  10    1.4333     0.8250     3.5995     0.0000 
   C  11    3.7803     2.9761     0.8269     3.7818     0.0000 



ATOMIC CHARGES
   N   1   -0.1570122277
   C   2    0.2586703889
   C   3    0.3227322491
   C   4    0.2121831676
   N   5   -0.1901244855
   C   6    0.1380001890
   F   7   -0.1975732564
   O   8   -0.4544934772
   O   9   -0.4425527408
   C  10    0.2543065150
   C  11    0.2558636780


BOND ANGLES
   2    1    3  Car  Nar  Car    120.069
   1    2    4  Nar  Car  Car    120.069
   1    2    8  Nar  Car   O3    119.782
   4    2    8  Car  Car   O3    120.150
   1    3    5  Nar  Car  Nar    119.863
   1    3    9  Nar  Car   O3    120.360
   5    3    9  Nar  Car   O3    119.777
   2    4    7  Car  Car    F    120.069
   2    4    6  Car  Car  Car    119.863
   6    4    7  Car  Car    F    120.069
   3    5    6  Car  Nar  Car    120.069
   4    6    5  Car  Car  Nar    120.069
   2    8   10  Car   O3   C3    119.782
   3    9   11  Car   O3   C3    119.631


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