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5-bromo-6-chloropicolinic acid
5-bromo-6-chloropicolinic acid
ID: Cs00381
CAS:959958-25-9
Supplier:Clousem

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SMILES:c1c(nc(c(c1)Br)Cl)C(=O)O	
FORMULA: C6H3BrClNO2
MASS: 236.4505
EXACT MASS: 234.9035680
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   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 
   C   6    1.5231     2.6380     3.0461     2.6380     1.5230     0.0000 
  Cl   7    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
  Br   8    4.0295     4.5691     4.0295     2.6380     1.5231     2.6379 
   C   9    2.6379     1.5230     2.6379     4.0294     4.5689     4.0295 
   O  10    4.0295     2.6379     3.0460     4.5689     5.4912     5.2759 
   O  11    3.0460     2.6379     4.0295     5.2758     5.4912     4.5691 

             Cl   7     Br   8      C   9      O  10      O  11
              -------------------------------------------------------
  Cl   7    0.0000 
  Br   8    3.0461     0.0000 
   C   9    5.2758     6.0920     0.0000 
   O  10    5.4912     6.9793     1.5230     0.0000 
   O  11    6.6386     6.9793     1.5230     2.6379     0.0000 



ATOMIC CHARGES
   C   1    0.0264554647
   C   2    0.1617279271
   N   3   -0.2267697095
   C   4    0.1446511199
   C   5    0.0630124330
   C   6    0.0108441173
  Cl   7   -0.0608083357
  Br   8   -0.0465264104
   C   9    0.4051122850
   O  10   -0.2388494457
   O  11   -0.2388494457


BOND ANGLES
   2    1    6  Car  Car  Car    120.002
   1    2    3  Car  Car  Nar    119.999
   1    2    9  Car  Car  Cac    120.001
   3    2    9  Nar  Car  Cac    120.000
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    120.001
   3    4    7  Nar  Car   Cl    120.000
   5    4    7  Car  Car   Cl    119.999
   4    5    6  Car  Car  Car    120.004
   4    5    8  Car  Car   Br    120.002
   6    5    8  Car  Car   Br    119.993
   1    6    5  Car  Car  Car    119.993
   2    9   10  Car  Cac O.co2    120.001
   2    9   11  Car  Cac O.co2    120.000
  10    9   11 O.co2  Cac O.co2    119.999


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