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1-Chloro-3-cyclopropylbenzene
1-Chloro-3-cyclopropylbenzene ID: 6765
CAS:19714-74-0
Supplier:SYNCHEM OHG

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SMILES:c1cc(cc(c1)C1CC1)Cl	
FORMULA: C9H9Cl
MASS: 152.6208
EXACT MASS: 152.0392780
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   C   3    1.4308     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8306     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4328     0.8241     0.0000 
   C   7    2.1807     2.4775     2.1880     1.4339     0.8250     1.4283 
   C   8    2.9940     3.2183     2.7988     1.9792     1.5931     2.2520 
   C   9    2.7907     3.2187     3.0030     2.2601     1.5943     1.9744 
  Cl  10    2.1849     1.4294     0.8250     1.4308     2.1886     2.4780 

              C   7      C   8      C   9     Cl  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.8237     0.0000 
   C   9    0.8262     0.8250     0.0000 
  Cl  10    2.8647     3.3557     3.6908     0.0000 



ATOMIC CHARGES
   C   1    0.0005428557
   C   2    0.0113739252
   C   3    0.0573584048
   C   4    0.0071184871
   C   5   -0.0216656088
   C   6   -0.0042235077
   C   7    0.0223794993
   C   8    0.0046853082
   C   9    0.0046853082
  Cl  10   -0.0822546718


BOND ANGLES
   7    5    6   C3  Car  Car    120.020
   5    6    1  Car  Car  Car    120.126
   6    5    7  Car  Car   C3    120.020
   5    7    9  Car   C3   C3    149.851
  10    3    4   Cl  Car  Car    119.992
   3    4    5  Car  Car  Car    119.778
   4    3   10  Car  Car   Cl    119.992


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


CHIRAL ATOMS
   C     7 is chiral: counterclockwise