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2-CHLORO-4,5-DIMETHYLPHENOL
2-CHLORO-4,5-DIMETHYLPHENOL
ID: BP-12078
CAS:1124-04-5
Supplier:BroadPharm

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SMILES:c1(c(cc(c(c1)C)C)O)Cl	
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    1.4125     0.0000 
   C   3    1.4235     2.4636     0.0000 
   C   4    2.4636     1.4235     2.8625     0.0000 
   C   5    2.8497     2.4750     2.4762     1.4450     0.0000 
   C   6    2.4750     2.8497     1.4450     2.4762     1.4125     0.0000 
  Cl   7    1.4450     2.4762     2.4750     3.7841     4.2947     3.7949 
   O   8    2.4762     1.4450     3.7841     2.4750     3.7949     4.2947 
   C   9    4.2911     3.7908     3.7978     2.4958     1.4414     2.4741 
   C  10    3.7908     4.2911     2.4958     3.7978     2.4741     1.4414 

             Cl   7      O   8      C   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   O   8    2.8625     0.0000 
   C   9    5.7361     4.9708     0.0000 
   C  10    4.9708     5.7361     2.8625     0.0000 



ATOMIC CHARGES
   C   1    0.0961499889
   C   2    0.2058060009
   C   3    0.0100629679
   C   4    0.0383540235
   C   5   -0.0225572791
   C   6   -0.0247486427
  Cl   7   -0.0789199930
   O   8   -0.2856775644
   C   9    0.0308030983
   C  10    0.0307273997


BOND ANGLES
   2    1    3  Car  Car  Car    120.619
   2    1    7  Car  Car   Cl    120.114
   3    1    7  Car  Car   Cl    119.268
   1    2    4  Car  Car  Car    120.619
   1    2    8  Car  Car   O3    120.114
   4    2    8  Car  Car   O3    119.268
   1    3    6  Car  Car  Car    119.268
   2    4    5  Car  Car  Car    119.268
   6    5    9  Car  Car   C3    120.197
   4    5    6  Car  Car  Car    120.114
   4    5    9  Car  Car   C3    119.689
   3    6    5  Car  Car  Car    120.114
   5    6   10  Car  Car   C3    120.197
   3    6   10  Car  Car   C3    119.689


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