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5-Bromouracil
5-Bromouracil 
ID: BP-12090
CAS:51-20-7
Supplier:BroadPharm

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SMILES:[nH]1c(=O)c(c[nH]c1=O)Br	
FORMULA: C4H3BrN2O2
MASS: 190.9828
EXACT MASS: 189.9377893
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2507     0.0000 
   C   3    2.1654     1.2500     0.0000 
   C   4    1.2507     2.1666     2.5013     0.0000 
   N   5    2.1654     2.5013     2.1666     1.2500     0.0000 
   C   6    2.5000     2.1654     1.2507     2.1654     1.2507     0.0000 
   O   7    2.1667     1.2508     2.1655     3.3096     3.7521     3.3083 
   O   8    2.1625     3.3054     3.7484     1.2471     2.1634     3.3055 
  Br   9    3.3083     2.1655     1.2508     3.7521     3.3096     2.1667 

              O   7      O   8     Br   9
              ---------------------------------
   O   7    0.0000 
   O   8    4.3292     0.0000 
  Br   9    2.5000     4.9992     0.0000 



ATOMIC CHARGES
   N   1   -0.1512439896
   C   2    0.2907704368
   C   3    0.1116262770
   C   4    0.3714677293
   N   5   -0.1885571794
   C   6    0.1152521225
   O   7   -0.2644624722
   O   8   -0.2425090351
  Br   9   -0.0423438893


BOND ANGLES
   2    1    4  Car  Nar  Car    120.035
   1    2    3  Nar  Car  Car    119.982
   1    2    7  Nar  Car   O2    120.037
   3    2    7  Car  Car   O2    119.980
   2    3    6  Car  Car  Car    119.982
   2    3    9  Car  Car   Br    119.980
   6    3    9  Car  Car   Br    120.037
   1    4    5  Nar  Car  Nar    119.982
   1    4    8  Nar  Car   O2    119.941
   5    4    8  Nar  Car   O2    120.077
   4    5    6  Car  Nar  Car    119.982
   3    6    5  Car  Car  Nar    120.035


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