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Products Information

2-methoxy-5-bromopyrimidine
2-methoxy-5-bromopyrimidine ID: B187186
CAS:14001-66-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ncc(cn1)Br)OC	
FORMULA: C5H5BrN2O
MASS: 189.0100
EXACT MASS: 187.9585248
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7426     0.0000 
   N   3    0.7391     1.2875     0.0000 
   C   4    1.4875     1.2935     1.2915     0.0000 
   C   5    1.2843     1.4879     0.7458     0.7432     0.0000 
   C   6    1.2864     0.7458     1.4879     0.7468     1.2875     0.0000 
   O   7    0.7458     1.2864     1.2843     2.2333     1.9660     1.9673 
  Br   8    2.2250     1.9646     1.9687     0.7375     1.2885     1.2822 
   C   9    1.2864     1.4792     1.9610     2.6790     2.5707     2.2250 

              O   7     Br   8      C   9
              ---------------------------------
   O   7    0.0000 
  Br   8    2.9708     0.0000 
   C   9    0.7426     3.3978     0.0000 



ATOMIC CHARGES
   C   1    0.3200980405
   N   2   -0.1921626453
   N   3   -0.1921626453
   C   4    0.0730564529
   C   5    0.1118368631
   C   6    0.1118368631
   O   7   -0.4426105097
  Br   8   -0.0457550216
   C   9    0.2558626026


BOND ANGLES
   2    1    3  Nar  Car  Nar    120.665
   2    1    7  Nar  Car   O3    119.589
   3    1    7  Nar  Car   O3    119.746
   1    2    6  Car  Nar  Car    119.589
   1    3    5  Car  Nar  Car    119.746
   5    4    8  Car  Car   Br    120.946
   5    4    6  Car  Car  Car    119.556
   6    4    8  Car  Car   Br    119.498
   3    5    4  Nar  Car  Car    120.301
   2    6    4  Nar  Car  Car    120.143
   1    7    9  Car   O3   C3    119.589


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