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5-bromo-2-methoxypyridine-3-carbaldehyde
5-bromo-2-methoxypyridine-3-carbaldehyde
ID: BP-11888
CAS:103058-87-3
Supplier:BroadPharm

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SMILES:c1(cnc(c(c1)C=O)OC)Br	
FORMULA: C7H6BrNO2
MASS: 216.0320
EXACT MASS: 214.9581904
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
  Br   7    0.5980     1.0375     1.5856     1.7980     1.5855     1.0375 
   O   8    1.7979     1.5854     1.0374     0.5979     1.0375     1.5855 
   C   9    2.1613     2.0766     1.5858     1.0374     1.1979     1.7979 
   C  10    1.5854     1.7979     1.5855     1.0375     0.5979     1.0374 
   O  11    2.0748     2.1598     1.7968     1.1969     1.0356     1.5839 

             Br   7      O   8      C   9      C  10      O  11
              -------------------------------------------------------
  Br   7    0.0000 
   O   8    2.3959     0.0000 
   C   9    2.7455     0.6000     0.0000 
   C  10    2.0749     1.1980     1.0375     0.0000 
   O  11    2.6099     1.0375     0.5990     0.5979     0.0000 



ATOMIC CHARGES
   C   1    0.0540232495
   C   2    0.1086951395
   N   3   -0.2095357342
   C   4    0.2281257484
   C   5    0.0958162643
   C   6    0.0162250458
  Br   7   -0.0473779464
   O   8   -0.4560538665
   C   9    0.2542334275
   C  10    0.2388273303
   O  11   -0.2829786580


BOND ANGLES
   6    1    7  Car  Car   Br    120.000
   2    1    6  Car  Car  Car    120.001
   2    1    7  Car  Car   Br    119.999
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    119.999
   3    4    5  Nar  Car  Car    120.001
   3    4    8  Nar  Car   O3    119.995
   5    4    8  Car  Car   O3    120.004
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car   C2    120.004
   6    5   10  Car  Car   C2    119.995
   1    6    5  Car  Car  Car    119.999
   4    8    9  Car   O3   C3    119.995
   5   10   11  Car   C2   O2    119.992


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