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3-Chloro-2,4-difluorobenzaldehyde
3-Chloro-2,4-difluorobenzaldehyde ID: API-9466
CAS:127675-46-1
Supplier:APIchem

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SMILES:Clc1c(F)c(ccc1F)C=O	ChemMol.com
FORMULA: C7H3ClF2O
MASS: 176.5479
EXACT MASS: 175.9840488
INTERATOMIC DISTANCES

             Cl   1      F   2      F   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    2.0000     0.0000 
   F   3    2.0000     3.4641     0.0000 
   O   4    4.3589     3.0000     4.5826     0.0000 
   C   5    2.6457     1.7320     3.0000     1.7321     0.0000 
   C   6    1.7320     1.0000     2.6457     2.6458     1.0000     0.0000 
   C   7    3.0000     2.6458     2.6458     2.0000     1.0001     1.7321 
   C   8    1.0000     1.7320     1.7320     3.4641     1.7320     1.0000 
   C   9    2.6458     3.0000     1.7321     3.0000     1.7321     2.0000 
   C  10    1.7320     2.6457     1.0000     3.6056     2.0000     1.7320 
   C  11    3.4641     2.0000     4.0000     1.0001     1.0000     1.7320 
   H  12    3.6200     3.1408     3.1408     1.7732     1.4158     2.2901 
   H  13    3.1408     3.6200     1.8397     3.3533     2.2901     2.6200 
   H  14    3.5191     1.7732     4.3433     1.4158     1.4158     1.8397 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     1.0001     0.0000 
   C  11    1.7321     2.6457     2.6458     3.0000     0.0000 
   H  12    0.6200     2.6200     1.4158     2.2901     1.8397     0.0000 
   H  13    1.4158     2.2901     0.6200     1.4158     3.1408     1.6200 
   H  14    2.2901     2.8292     3.1408     3.3533     0.6200     2.4522 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    3.6739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0775646784
   F   2   -0.2031406515
   F   3   -0.2038650132
   O   4   -0.2956048898
   C   5    0.0509584223
   C   6    0.1545660336
   C   7   -0.0459702886
   C   8    0.1118077979
   C   9   -0.0241629793
   C  10    0.1444544662
   C  11    0.1529955753
   H  12    0.0626157754
   H  13    0.0646784215
   H  14    0.1082320086


BOND ANGLES
   6    5    7  Car  Car  Car    120.001
   6    5   11  Car  Car   C2    120.001
   7    5   11  Car  Car   C2    119.998
   2    6    5    F  Car  Car    119.999
   2    6    8    F  Car  Car    120.001
   5    6    8  Car  Car  Car    120.001
   5    7    9  Car  Car  Car    119.998
   5    7   12  Car  Car   HC    120.000
   9    7   12  Car  Car   HC    120.002
   1    8    6   Cl  Car  Car    120.001
   1    8   10   Cl  Car  Car    119.999
   6    8   10  Car  Car  Car    120.001
   7    9   10  Car  Car  Car    119.998
   7    9   13  Car  Car   HC    120.002
  10    9   13  Car  Car   HC    120.000
   3   10    8    F  Car  Car    120.001
   3   10    9    F  Car  Car    119.998
   8   10    9  Car  Car  Car    120.001
   4   11    5   O2   C2  Car    119.998
   4   11   14   O2   C2   HC    120.000
   5   11   14  Car   C2   HC    120.002


TORSION ANGLES
   7    5    6    2    179.974
   7    5    6    8      0.026
  11    5    6    2      0.026
  11    5    6    8    179.974
   6    5    7    9      0.026
   6    5    7   12    179.974
  11    5    7    9    179.974
  11    5    7   12      0.026
   6    5   11    4    179.974
   6    5   11   14      0.026
   7    5   11    4      0.026
   7    5   11   14    179.974
   2    6    8    1      0.026
   2    6    8   10    179.974
   5    6    8    1    179.974
   5    6    8   10      0.026
   5    7    9   10      0.026
   5    7    9   13    179.974
  12    7    9   10    179.974
  12    7    9   13      0.026
   1    8   10    3      0.026
   1    8   10    9    179.974
   6    8   10    3    179.974
   6    8   10    9      0.026
   7    9   10    3    179.974
   7    9   10    8      0.026
  13    9   10    3      0.026
  13    9   10    8    179.974