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2-bromopropanoyl bromide
2-bromopropanoyl bromide ID: AN-45950
CAS:563-76-8
Supplier:AN PharmaTech Co Ltd

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SMILES:BrC(C)C(=O)Br	79047
FORMULA: C3H4Br2O
MASS: 215.8713
EXACT MASS: 213.8628887
INTERATOMIC DISTANCES

             Br   1     Br   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    2.6458     0.0000 
   O   3    2.0000     1.7321     0.0000 
   C   4    1.0000     1.7321     1.7320     0.0000 
   C   5    1.7320     2.0000     2.6457     1.0000     0.0000 
   C   6    1.7320     1.0001     1.0000     1.0000     1.7320     0.0000 
   H   7    0.9341     1.9294     1.0828     0.8500     1.8500     0.9341 
   H   8    1.5200     2.5559     2.9083     1.1766     0.6200     2.1114 
   H   9    2.2901     2.3716     3.2380     1.6200     0.6200     2.2901 
   H  10    2.1114     1.4956     2.5121     1.1766     0.6200     1.5200 

              H   7      H   8      H   9      H  10
              --------------------------------------------
   H   7    0.0000 
   H   8    1.9511     0.0000 
   H   9    2.4700     0.8768     0.0000 
   H  10    1.9511     1.2400     0.8768     0.0000 



ATOMIC CHARGES
  Br   1   -0.0793687020
  Br   2   -0.0075715635
   O   3   -0.2835661784
   C   4    0.0809400296
   C   5   -0.0450458042
   C   6    0.2110374738
   H   7    0.0501765182
   H   8    0.0244660755
   H   9    0.0244660755
   H  10    0.0244660755


BOND ANGLES
   1    4    5   Br   C3   C3    120.001
   1    4    6   Br   C3   C2    119.999
   1    4    7   Br   C3   HC     59.999
   5    4    6   C3   C3   C2    120.001
   5    4    7   C3   C3   HC    179.974
   6    4    7   C2   C3   HC     59.999
   4    5    8   C3   C3   HC     90.000
   4    5    9   C3   C3   HC    179.974
   4    5   10   C3   C3   HC     90.000
   8    5    9   HC   C3   HC     90.000
   8    5   10   HC   C3   HC    179.974
   9    5   10   HC   C3   HC     90.000
   2    6    3   Br   C2   O2    119.998
   2    6    4   Br   C2   C3    120.001
   3    6    4   O2   C2   C3    120.001


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


CHIRAL ATOMS
   7    4    6    3      0.026