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4-(CHLOROMETHYL)BENZYL ALCOHOL
4-(CHLOROMETHYL)BENZYL ALCOHOL
ID: BP-12077
CAS:16473-35-1
Supplier:BroadPharm

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SMILES:c1(ccc(cc1)CO)CCl	
FORMULA: C8H9ClO
MASS: 156.6095
EXACT MASS: 156.0341926
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.8622     0.0000 
   C   3    2.4915     1.4342     0.0000 
   C   4    1.4321     2.4879     2.8833     0.0000 
   C   5    1.4375     2.4750     1.4342     2.4879     0.0000 
   C   6    2.4750     1.4375     2.4915     1.4321     2.8622     0.0000 
  Cl   7    2.4750     5.1545     4.2964     3.7818     2.8622     4.9500 
   O   8    5.1545     2.4750     3.7826     4.2943     4.9500     2.8622 
   C   9    1.4321     4.2943     3.7999     2.4750     2.4879     3.7818 
   C  10    4.2892     1.4271     2.4667     3.7945     3.7745     2.4874 

             Cl   7      O   8      C   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   O   8    7.5629     0.0000 
   C   9    1.4321     6.5531     0.0000 
   C  10    6.5467     1.4414     5.7213     0.0000 



ATOMIC CHARGES
   C   1   -0.0059429027
   C   2    0.0105534194
   C   3   -0.0020290109
   C   4   -0.0032805620
   C   5   -0.0032805620
   C   6   -0.0020290109
  Cl   7   -0.1085310425
   O   8   -0.2151720874
   C   9    0.1211173746
   C  10    0.2085943843


BOND ANGLES
   4    1    5  Car  Car  Car    120.219
   4    1    9  Car  Car   C3    119.561
   5    1    9  Car  Car   C3    120.219
   3    2   10  Car  Car   C3    119.103
   3    2    6  Car  Car  Car    120.364
   6    2   10  Car  Car   C3    120.533
   2    3    5  Car  Car  Car    119.271
   1    4    6  Car  Car  Car    119.561
   1    5    3  Car  Car  Car    120.364
   2    6    4  Car  Car  Car    120.219
   1    9    7  Car   C3   Cl    119.561
   2   10    8  Car   C3   O3    119.270


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