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5-Bromo-3-chloro-2-pyridinone
5-Bromo-3-chloro-2-pyridinone ID: B184523
CAS:58236-70-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1=CC(=CC(C1=O)Cl)Br	
FORMULA: C5H3BrClNO
MASS: 208.4404
EXACT MASS: 206.9086534
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.4875     1.2927     0.0000 
   C   4    1.2963     0.7417     0.7555     0.0000 
   C   5    1.2859     1.4931     0.7375     1.2958     0.0000 
   C   6    0.7396     1.2958     1.2822     1.4931     0.7417     0.0000 
   O   7    1.3000     0.7432     1.9755     1.2879     2.2363     1.9735 
  Br   8    1.9592     2.2305     1.2750     1.9685     0.7375     1.2822 
  Cl   9    1.9787     1.2879     1.3000     0.7432     1.9735     2.2363 

              O   7     Br   8     Cl   9
              ---------------------------------
   O   7    0.0000 
  Br   8    2.9738     0.0000 
  Cl   9    1.4917     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.1760722189
   C   2    0.2646778649
   C   3    0.0070012188
   C   4    0.1802105197
   C   5    0.0485599173
   C   6    0.0950287885
   O   7   -0.2712913172
  Br   8   -0.0478894997
  Cl   9   -0.1002252734


BOND ANGLES
   2    1    6   C2  Nam   C2    119.866
   1    2    4  Nam   C2   C3    119.668
   1    2    7  Nam   C2   O2    120.031
   4    2    7   C3   C2   O2    120.301
   4    3    5   C3   C2   C2    120.424
   2    4    9   C2   C3   Cl    120.301
   2    4    3   C2   C3   C2    119.391
   3    4    9   C2   C3   Cl    120.307
   3    5    6   C2   C2   C2    120.184
   3    5    8   C2   C2   Br    119.631
   6    5    8   C2   C2   Br    120.184
   1    6    5  Nam   C2   C2    120.466


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


CHIRAL ATOMS
   9    4    3    5    179.974