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(2,2-Dichlorocyclopropyl)benzene
(2,2-Dichlorocyclopropyl)benzene ID: API-45688
CAS:2415-80-7
Supplier:APIchem

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SMILES:ClC1(Cl)C(C1)c1ccccc1	ChemMol.com
FORMULA: C9H8Cl2
MASS: 187.0658
EXACT MASS: 186.0003056
INTERATOMIC DISTANCES

             Cl   1     Cl   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    1.7320     0.0000 
   C   3    1.9318     1.4142     0.0000 
   C   4    1.0000     1.0000     1.0000     0.0000 
   C   5    1.4142     1.9318     1.0000     1.0000     0.0000 
   C   6    2.9093     1.9318     1.0000     1.9318     1.9318     0.0000 
   C   7    3.6326     2.9093     1.7320     2.7320     2.3941     1.0000 
   C   8    3.3858     1.9318     1.7320     2.3941     2.7320     1.0000 
   C   9    4.5747     3.6326     2.6457     3.6326     3.3858     1.7320 
   C  10    4.3813     2.9093     2.6457     3.3858     3.6326     1.7320 
   C  11    4.8916     3.6326     3.0000     3.8982     3.8982     2.0000 
   H  12    2.0289     0.9304     0.6200     1.0313     1.5038     1.0312 
   H  13    1.1741     2.2646     1.5967     1.2648     0.6200     2.5500 
   H  14    1.9934     2.4655     1.2648     1.5967     0.6200     1.9768 
   H  15    3.6000     3.1762     1.8396     2.8015     2.2455     1.4157 
   H  16    3.1866     1.5564     1.8397     2.2456     2.8015     1.4158 
   H  17    5.0484     4.2135     3.1407     4.1393     3.7853     2.2900 
   H  18    4.7624     3.1762     3.1408     3.7853     4.1394     2.2901 
   H  19    5.5087     4.2136     3.6200     4.5138     4.5138     2.6200 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7320     0.0000 
   C  11    1.7320     1.7320     1.0000     1.0000     0.0000 
   H  12    1.9850     1.3659     2.7603     2.3547     2.9020     0.0000 
   H  13    2.9878     3.3214     3.9850     4.2409     4.5176     2.0337 
   H  14    2.1649     2.9046     3.1614     3.7074     3.8110     1.8684 
   H  15    0.6200     2.2900     1.4158     2.6199     2.2900     2.2510 
   H  16    2.2901     0.6201     2.6200     1.4158     2.2901     1.3063 
   H  17    1.4158     2.6199     0.6200     2.2900     1.4157     3.3207 
   H  18    2.6200     1.4158     2.2901     0.6201     1.4158     2.7688 
   H  19    2.2901     2.2901     1.4158     1.4158     0.6200     3.5110 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.9499     0.0000 
   H  15    2.7827     1.8716     0.0000 
   H  16    3.3397     3.0949     2.8059     0.0000 
   H  17    4.3598     3.4788     1.6200     3.2400     0.0000 
   H  18    4.7347     4.2635     3.2400     1.6200     2.8059     0.0000 
   H  19    5.1327     4.4090     2.8059     2.8059     1.6199     1.6200 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
  Cl   1   -0.1002474827
  Cl   2   -0.1002474827
   C   3    0.0196712339
   C   4    0.1258895523
   C   5   -0.0099032898
   C   6   -0.0413700054
   C   7   -0.0582136032
   C   8   -0.0582136032
   C   9   -0.0614914210
   C  10   -0.0614914210
   C  11   -0.0617414757
   H  12    0.0378524745
   H  13    0.0300687497
   H  14    0.0300687497
   H  15    0.0620387740
   H  16    0.0620387740
   H  17    0.0617665602
   H  18    0.0617665602
   H  19    0.0617583564


BOND ANGLES
   4    3    5   C3   C3   C3     60.001
   4    3    6   C3   C3  Car    149.999
   4    3   12   C3   C3   HC     75.002
   5    3    6   C3   C3  Car    149.999
   5    3   12   C3   C3   HC    135.003
   6    3   12  Car   C3   HC     74.998
   1    4    2   Cl   C3   Cl    120.001
   1    4    3   Cl   C3   C3    149.999
   1    4    5   Cl   C3   C3     90.000
   2    4    3   Cl   C3   C3     90.000
   2    4    5   Cl   C3   C3    149.999
   3    4    5   C3   C3   C3     59.999
   3    5    4   C3   C3   C3     59.999
   3    5   13   C3   C3   HC    159.993
   3    5   14   C3   C3   HC    100.005
   4    5   13   C3   C3   HC     99.994
   4    5   14   C3   C3   HC    160.004
  13    5   14   HC   C3   HC    100.002
   3    6    7   C3  Car  Car    120.001
   3    6    8   C3  Car  Car    120.001
   7    6    8  Car  Car  Car    119.999
   6    7    9  Car  Car  Car    120.001
   6    7   15  Car  Car   HC    119.998
   9    7   15  Car  Car   HC    120.002
   6    8   10  Car  Car  Car    120.001
   6    8   16  Car  Car   HC    120.002
  10    8   16  Car  Car   HC    119.997
   7    9   11  Car  Car  Car    120.001
   7    9   17  Car  Car   HC    120.002
  11    9   17  Car  Car   HC    119.998
   8   10   11  Car  Car  Car    120.001
   8   10   18  Car  Car   HC    119.997
  11   10   18  Car  Car   HC    120.002
   9   11   10  Car  Car  Car    119.999
   9   11   19  Car  Car   HC    120.001
  10   11   19  Car  Car   HC    120.001


TORSION ANGLES
   5    3    4    1      0.026
   5    3    4    2    179.974
   5    3    4    5      0.026
   6    3    4    1    179.974
   6    3    4    2      0.026
   6    3    4    5    179.974
  12    3    4    1    179.974
  12    3    4    2      0.026
  12    3    4    5    179.974
   4    3    5    4      0.026
   4    3    5   13      0.026
   4    3    5   14    179.974
   6    3    5    4    179.974
   6    3    5   13    179.974
   6    3    5   14      0.026
  12    3    5    4      0.026
  12    3    5   13      0.026
  12    3    5   14    179.974
   4    3    6    7    179.974
   4    3    6    8      0.026
   5    3    6    7      0.026
   5    3    6    8    179.974
  12    3    6    7    179.974
  12    3    6    8      0.026
   1    4    5    3    179.974
   1    4    5   13      0.026
   1    4    5   14    179.974
   2    4    5    3      0.026
   2    4    5   13    179.974
   2    4    5   14      0.026
   3    4    5    3      0.026
   3    4    5   13    179.974
   3    4    5   14      0.026
   3    6    7    9    179.974
   3    6    7   15      0.026
   8    6    7    9      0.026
   8    6    7   15    179.974
   3    6    8   10    179.974
   3    6    8   16      0.026
   7    6    8   10      0.026
   7    6    8   16    179.974
   6    7    9   11      0.026
   6    7    9   17    179.974
  15    7    9   11    179.974
  15    7    9   17      0.026
   6    8   10   11      0.026
   6    8   10   18    179.974
  16    8   10   11    179.974
  16    8   10   18      0.026
   7    9   11   10      0.026
   7    9   11   19    179.974
  17    9   11   10    179.974
  17    9   11   19      0.026
   8   10   11    9      0.026
   8   10   11   19    179.974
  18   10   11    9    179.974
  18   10   11   19      0.026


CHIRAL ATOMS
  18   10   11   19      0.026