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2,5-DICHLOROPHENYLBORONIC ACID
2,5-DICHLOROPHENYLBORONIC ACID
ID: BP-12144
CAS:135145-90-3
Supplier:BroadPharm

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SMILES:c1(B(O)O)cc(ccc1Cl)Cl	
FORMULA: C6H5BCl2O2
MASS: 190.8197
EXACT MASS: 189.9759652
INTERATOMIC DISTANCES

              C   1      B   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    1.4427     0.0000 
   C   3    1.4280     2.4752     0.0000 
   C   4    1.4583     2.5242     2.4988     0.0000 
   C   5    2.4915     3.8158     2.8750     1.4238     0.0000 
   C   6    2.4750     3.7859     1.4280     2.8727     2.4915     0.0000 
   O   7    2.4752     1.4280     3.7749     2.8876     4.3112     4.9501 
   O   8    2.4915     1.4208     2.8685     3.8264     4.9831     4.2964 
  Cl   9    2.4994     2.9251     3.7959     1.4163     2.4543     4.2890 
   C  10    2.8727     4.3154     2.4988     2.4750     1.4238     1.4583 
  Cl  11    3.7662     4.9333     2.4583     4.2925     3.7922     1.4199 

              O   7      O   8     Cl   9      C  10     Cl  11
              -------------------------------------------------------
   O   7    0.0000 
   O   8    2.4662     0.0000 
  Cl   9    2.5453     4.3458     0.0000 
   C  10    5.1687     5.1858     3.7622     0.0000 
  Cl  11    6.2099     5.1385     5.7088     2.5014     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   O   7    0.0000000000
   O   8    0.0000000000
  Cl   9    0.0000000000
   C  10    0.0000000000
  Cl  11    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    119.132
   2    1    4   B2  Car  Car    120.937
   3    1    4  Car  Car  Car    119.932
   1    2    7  Car   B2   O3    119.132
   1    2    8  Car   B2   O3    120.937
   7    2    8   O3   B2   O3    119.932
   1    3    6  Car  Car  Car    120.137
   1    4    5  Car  Car  Car    119.642
   1    4    9  Car  Car   Cl    120.790
   5    4    9  Car  Car   Cl    119.568
   4    5   10  Car  Car  Car    120.716
   3    6   11  Car  Car   Cl    119.364
   3    6   10  Car  Car  Car    119.932
  10    6   11  Car  Car   Cl    120.705
   5   10    6  Car  Car  Car    119.642


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