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1-Chloro-1-cyclopentene
1-Chloro-1-cyclopentene ID: API-42862
CAS:930-29-0
Supplier:APIchem

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SMILES:ClC1=CCCC1	ChemMol.com
FORMULA: C5H7Cl
MASS: 102.5621
EXACT MASS: 102.0236279
INTERATOMIC DISTANCES

             Cl   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   C   2    2.5876     0.0000 
   C   3    1.7820     0.9999     0.0000 
   C   4    2.5876     1.0000     1.6180     0.0000 
   C   5    1.0000     1.6180     1.0000     1.6180     0.0000 
   C   6    1.7820     1.6180     1.6180     0.9999     1.0000     0.0000 
   H   7    3.1853     0.6200     1.6116     1.1202     2.1989     2.0014 
   H   8    2.8881     0.6200     1.1201     1.6117     2.0014     2.1989 
   H   9    2.2972     1.1202     0.6200     2.0014     1.6116     2.1989 
   H  10    1.5350     1.6116     0.6201     2.1989     1.1202     2.0014 
   H  11    2.8880     1.6116     2.1988     0.6199     2.0013     1.1201 
   H  12    3.1853     1.1202     2.0014     0.6200     2.1989     1.6116 
   H  13    1.9763     2.2160     2.2160     1.4537     1.4537     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8298     0.0000 
   H   9    1.6169     0.8704     0.0000 
   H  10    2.2129     1.6169     0.8297     0.0000 
   H  11    1.6169     2.2129     2.6162     2.7508     0.0000 
   H  12    0.8704     1.6170     2.2380     2.6163     0.8297     0.0000 
   H  13    2.5413     2.8094     2.8094     2.5413     1.3047     2.0058 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
  Cl   1   -0.0885424130
   C   2   -0.0447816926
   C   3   -0.0170470734
   C   4   -0.0330855187
   C   5    0.0146211490
   C   6   -0.0697060751
   H   7    0.0271593655
   H   8    0.0271593655
   H   9    0.0321661603
   H  10    0.0321661603
   H  11    0.0307845391
   H  12    0.0307845391
   H  13    0.0583214940


BOND ANGLES
   3    2    4   C3   C3   C3    108.000
   3    2    7   C3   C3   HC    167.999
   3    2    8   C3   C3   HC     83.999
   4    2    7   C3   C3   HC     84.001
   4    2    8   C3   C3   HC    168.001
   7    2    8   HC   C3   HC     84.001
   2    3    5   C3   C3   C2    108.001
   2    3    9   C3   C3   HC     84.007
   2    3   10   C3   C3   HC    168.003
   5    3    9   C2   C3   HC    167.992
   5    3   10   C2   C3   HC     83.996
   9    3   10   HC   C3   HC     83.996
   2    4    6   C3   C3   C2    108.000
   2    4   11   C3   C3   HC    167.999
   2    4   12   C3   C3   HC     84.001
   6    4   11   C2   C3   HC     84.000
   6    4   12   C2   C3   HC    167.999
  11    4   12   HC   C3   HC     83.999
   1    5    3   Cl   C2   C3    126.001
   1    5    6   Cl   C2   C2    126.001
   3    5    6   C3   C2   C2    107.997
   4    6    5   C3   C2   C2    108.001
   4    6   13   C3   C2   HC    126.000
   5    6   13   C2   C2   HC    125.999


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