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1-Chloro-2,5-difluorobenzene
1-Chloro-2,5-difluorobenzene ID: API-45592
CAS:2367-91-1
Supplier:APIchem

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SMILES:Clc1c(F)ccc(F)c1	ChemMol.com
FORMULA: C6H3ClF2
MASS: 148.5378
EXACT MASS: 147.9891342
INTERATOMIC DISTANCES

             Cl   1      F   2      F   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    2.0000     0.0000 
   F   3    3.4641     4.0000     0.0000 
   C   4    1.0000     1.7320     2.6458     0.0000 
   C   5    1.7320     1.0000     3.0000     1.0000     0.0000 
   C   6    1.7321     2.6458     1.7320     1.0001     1.7321     0.0000 
   C   7    2.6458     3.0000     1.0000     1.7321     2.0000     1.0000 
   C   8    2.6457     1.7320     2.6458     1.7320     1.0000     2.0000 
   C   9    3.0000     2.6457     1.7321     2.0000     1.7320     1.7321 
   H  10    1.8397     3.1408     1.8397     1.4158     2.2901     0.6200 
   H  11    3.1407     1.8397     3.1408     2.2900     1.4158     2.6200 
   H  12    3.6200     3.1407     1.8397     2.6200     2.2901     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0001     1.0000     0.0000 
   H  10    1.4158     2.6200     2.2901     0.0000 
   H  11    2.2901     0.6200     1.4157     3.2400     0.0000 
   H  12    1.4158     1.4158     0.6200     2.8059     1.6199     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0804846638
   F   2   -0.2039591752
   F   3   -0.2054394852
   C   4    0.0787888213
   C   5    0.1417910565
   C   6   -0.0053218256
   C   7    0.1249586902
   C   8   -0.0222872752
   C   9   -0.0236501786
   H  10    0.0661615941
   H  11    0.0647437929
   H  12    0.0646986484


BOND ANGLES
   1    4    5   Cl  Car  Car    120.001
   1    4    6   Cl  Car  Car    119.998
   5    4    6  Car  Car  Car    120.001
   2    5    4    F  Car  Car    119.999
   2    5    8    F  Car  Car    120.001
   4    5    8  Car  Car  Car    120.001
   4    6    7  Car  Car  Car    119.998
   4    6   10  Car  Car   HC    120.000
   7    6   10  Car  Car   HC    120.002
   3    7    6    F  Car  Car    120.001
   3    7    9    F  Car  Car    120.001
   6    7    9  Car  Car  Car    119.998
   5    8    9  Car  Car  Car    120.001
   5    8   11  Car  Car   HC    120.002
   9    8   11  Car  Car   HC    119.998
   7    9    8  Car  Car  Car    120.001
   7    9   12  Car  Car   HC    119.998
   8    9   12  Car  Car   HC    120.001


TORSION ANGLES
   1    4    5    2      0.026
   1    4    5    8    179.974
   6    4    5    2    179.974
   6    4    5    8      0.026
   1    4    6    7    179.974
   1    4    6   10      0.026
   5    4    6    7      0.026
   5    4    6   10    179.974
   2    5    8    9    179.974
   2    5    8   11      0.026
   4    5    8    9      0.026
   4    5    8   11    179.974
   4    6    7    3    179.974
   4    6    7    9      0.026
  10    6    7    3      0.026
  10    6    7    9    179.974
   3    7    9    8    179.974
   3    7    9   12      0.026
   6    7    9    8      0.026
   6    7    9   12    179.974
   5    8    9    7      0.026
   5    8    9   12    179.974
  11    8    9    7    179.974
  11    8    9   12      0.026