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2-Chloro-1-cyclopentylethanone
2-Chloro-1-cyclopentylethanone ID: API-42886
CAS:932-28-5
Supplier:APIchem

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SMILES:C(=O)(C1CCCC1)CCl	ChemMol.com
FORMULA: C7H11ClO
MASS: 146.6146
EXACT MASS: 146.0498427
INTERATOMIC DISTANCES

              C   1      O   2      C   3     Cl   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7412     0.0000 
   C   3    0.7445     1.2862     0.0000 
  Cl   4    1.2822     1.4810     1.9629     0.0000 
   C   5    0.7433     1.2874     1.2871     0.7418     0.0000 
   C   6    1.3258     1.9889     0.7445     2.2921     1.5505     0.0000 
   C   7    1.3289     1.5551     0.7460     2.6103     1.9926     1.2056 
   C   8    1.9268     2.4780     1.2051     3.0131     2.2757     0.7458 
   C   9    1.9220     2.2725     1.2000     3.1627     2.4732     1.2017 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    1.2043     0.0000 
   C   9    0.7392     0.7432     0.0000 



ATOMIC CHARGES
   C   1    0.1665733095
   O   2   -0.2947375382
   C   3    0.0589244984
  Cl   4   -0.1052697025
   C   5    0.1588940015
   C   6    0.0073643376
   C   7    0.0073643376
   C   8    0.0004433781
   C   9    0.0004433781


BOND ANGLES
   2    1    3   O2   C2   C3    119.938
   2    1    5   O2   C2   C3    120.266
   3    1    5   C3   C2   C3    119.795
   1    3    6   C2   C3   C3    125.862
   1    3    7   C2   C3   C3    126.161
   6    3    7   C3   C3   C3    107.977
   1    5    4   C2   C3   Cl    119.396
   3    6    8   C3   C3   C3    107.931
   3    7    9   C3   C3   C3    107.802
   6    8    9   C3   C3   C3    107.623
   7    9    8   C3   C3   C3    108.667


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