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Dichlorophenylphosphine
Dichlorophenylphosphine ID: API-41898
CAS:644-97-3
Supplier:APIchem

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SMILES:ClP(Cl)c1ccccc1	ChemMol.com
FORMULA: C6H5Cl2P
MASS: 178.9837
EXACT MASS: 177.9505922
INTERATOMIC DISTANCES

             Cl   1     Cl   2      P   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    1.7320     0.0000 
   P   3    1.0000     1.0000     0.0000 
   C   4    1.7320     1.7320     1.0000     0.0000 
   C   5    2.6457     2.0000     1.7320     1.0000     0.0000 
   C   6    2.0000     2.6457     1.7320     1.0000     1.7320     0.0000 
   C   7    3.4641     3.0000     2.6457     1.7320     1.0000     2.0000 
   C   8    3.0000     3.4641     2.6457     1.7320     2.0000     1.0000 
   C   9    3.6055     3.6055     3.0000     2.0000     1.7320     1.7320 
   H  10    2.8291     1.7732     1.8396     1.4157     0.6200     2.2900 
   H  11    1.7733     2.8292     1.8397     1.4158     2.2901     0.6201 
   H  12    4.0130     3.3533     3.1407     2.2900     1.4158     2.6199 
   H  13    3.3533     4.0130     3.1408     2.2901     2.6200     1.4158 
   H  14    4.2100     4.2100     3.6200     2.6200     2.2901     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   H  10    1.4158     2.6199     2.2900     0.0000 
   H  11    2.6200     1.4158     2.2901     2.8059     0.0000 
   H  12    0.6200     2.2900     1.4157     1.6200     3.2400     0.0000 
   H  13    2.2901     0.6201     1.4158     3.2400     1.6200     2.8059 
   H  14    1.4158     1.4158     0.6200     2.8059     2.8059     1.6199 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0723585562
  Cl   2   -0.0723585562
   P   3    0.1164955170
   C   4    0.0058562256
   C   5   -0.0519688592
   C   6   -0.0519688592
   C   7   -0.0610972191
   C   8   -0.0610972191
   C   9   -0.0617189600
   H  10    0.0624510345
   H  11    0.0624510345
   H  12    0.0617778986
   H  13    0.0617778986
   H  14    0.0617586203


BOND ANGLES
   1    3    2   Cl    P   Cl    119.999
   1    3    4   Cl    P  Car    120.001
   2    3    4   Cl    P  Car    120.001
   3    4    5    P  Car  Car    120.001
   3    4    6    P  Car  Car    120.001
   5    4    6  Car  Car  Car    119.999
   4    5    7  Car  Car  Car    120.001
   4    5   10  Car  Car   HC    119.998
   7    5   10  Car  Car   HC    120.002
   4    6    8  Car  Car  Car    120.001
   4    6   11  Car  Car   HC    120.002
   8    6   11  Car  Car   HC    119.997
   5    7    9  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    120.002
   9    7   12  Car  Car   HC    119.998
   6    8    9  Car  Car  Car    120.001
   6    8   13  Car  Car   HC    119.997
   9    8   13  Car  Car   HC    120.002
   7    9    8  Car  Car  Car    119.999
   7    9   14  Car  Car   HC    120.001
   8    9   14  Car  Car   HC    120.001


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