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1,2-dibromopropane
1,2-dibromopropane ID: AN-42114
CAS:78-75-1
Supplier:AN PharmaTech Co Ltd

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SMILES:BrC(CBr)C	6553
FORMULA: C3H6Br2
MASS: 201.8877
EXACT MASS: 199.8836242
INTERATOMIC DISTANCES

             Br   1     Br   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    2.6458     0.0000 
   C   3    1.0000     1.7321     0.0000 
   C   4    1.7320     1.0001     1.0000     0.0000 
   C   5    1.7320     2.0000     1.0000     1.7320     0.0000 
   H   6    0.8743     1.8397     0.6200     0.8743     1.6200     0.0000 
   H   7    2.1829     1.0813     1.5968     0.6201     2.3452     1.3135 
   H   8    1.4156     1.5968     1.0813     0.6200     2.0296     0.5870 
   H   9    1.5200     2.5559     1.1766     2.1114     0.6200     1.7346 
   H  10    2.2901     2.3716     1.6200     2.2901     0.6200     2.2400 
   H  11    2.1114     1.4956     1.1766     1.5200     0.6200     1.7346 

              H   7      H   8      H   9      H  10      H  11
              -------------------------------------------------------
   H   7    0.0000 
   H   8    0.7971     0.0000 
   H   9    2.7299     2.2546     0.0000 
   H  10    2.8867     2.6368     0.8768     0.0000 
   H  11    2.0775     1.9809     1.2400     0.8768     0.0000 



ATOMIC CHARGES
  Br   1   -0.0875215984
  Br   2   -0.0906418615
   C   3    0.0216197856
   C   4    0.0155109720
   C   5   -0.0519629817
   H   6    0.0423043981
   H   7    0.0392630727
   H   8    0.0392630727
   H   9    0.0240550468
   H  10    0.0240550468
   H  11    0.0240550468


BOND ANGLES
   1    3    4   Br   C3   C3    119.999
   1    3    5   Br   C3   C3    120.001
   1    3    6   Br   C3   HC     59.999
   4    3    5   C3   C3   C3    120.001
   4    3    6   C3   C3   HC     59.999
   5    3    6   C3   C3   HC    179.974
   2    4    3   Br   C3   C3    120.001
   2    4    7   Br   C3   HC     79.996
   2    4    8   Br   C3   HC    159.993
   3    4    7   C3   C3   HC    160.003
   3    4    8   C3   C3   HC     80.006
   7    4    8   HC   C3   HC     79.997
   3    5    9   C3   C3   HC     90.000
   3    5   10   C3   C3   HC    179.974
   3    5   11   C3   C3   HC     90.000
   9    5   10   HC   C3   HC     90.000
   9    5   11   HC   C3   HC    179.974
  10    5   11   HC   C3   HC     90.000


TORSION ANGLES
   1    3    4    2    179.974
   1    3    4    7      0.026
   1    3    4    8      0.026
   5    3    4    2      0.026
   5    3    4    7    179.974
   5    3    4    8    179.974
   6    3    4    2    179.974
   6    3    4    7      0.026
   6    3    4    8      0.026
   1    3    5    9      0.026
   1    3    5   10    180.000
   1    3    5   11    179.974
   4    3    5    9    179.974
   4    3    5   10    180.000
   4    3    5   11      0.026
   6    3    5    9    180.000
   6    3    5   10    180.000
   6    3    5   11    180.000


CHIRAL ATOMS
   6    3    5   11    180.000