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5-Fluoropyrimidine-4,6-diol
5-Fluoropyrimidine-4,6-diol ID: API-28666
CAS:106615-61-6
Supplier:APIchem

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SMILES:c1nc(c(c(n1)O)F)O	ChemMol.com
FORMULA: C4H3FN2O2
MASS: 130.0772
EXACT MASS: 130.0178556
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   N   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
   O   8    4.0294     4.5689     4.0295     2.6379     1.5230     2.6379 
   F   9    4.5689     4.0294     2.6379     1.5230     2.6379     4.0295 

              O   7      O   8      F   9
              ---------------------------------
   O   7    0.0000 
   O   8    5.2758     0.0000 
   F   9    3.0460     3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.2045602624
   N   2   -0.1833985001
   C   3    0.3130878635
   C   4    0.2549429073
   C   5    0.3130878635
   N   6   -0.1833985001
   O   7   -0.2624839418
   O   8   -0.2624839418
   F   9   -0.1939140129


BOND ANGLES
   2    1    6  Nar  Car  Nar    120.001
   1    2    3  Car  Nar  Car    120.001
   2    3    4  Nar  Car  Car    120.000
   2    3    7  Nar  Car   O3    120.001
   4    3    7  Car  Car   O3    119.999
   3    4    5  Car  Car  Car    119.999
   3    4    9  Car  Car    F    120.000
   5    4    9  Car  Car    F    120.001
   4    5    6  Car  Car  Nar    119.999
   4    5    8  Car  Car   O3    120.001
   6    5    8  Nar  Car   O3    120.000
   1    6    5  Car  Nar  Car    120.000


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