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Products Information


ID: 1701407869
Supplier:Focus Synthesis LLC.

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SMILES:C(C(=O)O)C(F)F	
FORMULA: C3H4F2O2
MASS: 110.0595
EXACT MASS: 110.0179358
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      O   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8251     0.0000 
   C   3    0.8362     1.4351     0.0000 
   O   4    1.4171     0.8124     2.1784     0.0000 
   O   5    1.4241     0.8178     1.6482     1.4114     0.0000 
   F   6    1.4385     1.6515     0.8283     2.4639     1.4249     0.0000 
   F   7    1.4221     2.1736     0.8131     2.8392     2.4613     1.4305 

              F   7
              -----------
   F   7    0.0000 



ATOMIC CHARGES
   C   1    0.1860300669
   C   2    0.3706313652
   C   3    0.3298196514
   O   4   -0.2454441179
   O   5   -0.2454441179
   F   6   -0.1977964239
   F   7   -0.1977964239


BOND ANGLES
   2    1    3  Cac   C3   C3    119.504
   1    2    4   C3  Cac O.co2    119.861
   1    2    5   C3  Cac O.co2    120.192
   4    2    5 O.co2  Cac O.co2    119.947
   1    3    6   C3   C3    F    119.592
   1    3    7   C3   C3    F    119.139
   6    3    7    F   C3    F    121.270


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