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4-CHLORO-2-METHYLPHENOL
4-CHLORO-2-METHYLPHENOL
ID: BP-12082
CAS:1570-64-5
Supplier:BroadPharm

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SMILES:c1(c(ccc(c1)Cl)O)C	
FORMULA: C7H7ClO
MASS: 142.5829
EXACT MASS: 142.0185425
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4248     0.0000 
   C   3    1.4210     2.4673     0.0000 
   C   4    2.4791     1.4414     2.8555     0.0000 
   C   5    2.4760     2.8692     1.4262     2.4875     0.0000 
   C   6    2.8505     2.4728     2.4701     1.4189     1.4432     0.0000 
  Cl   7    3.7961     4.3008     2.4992     3.7838     1.4318     2.4800 
   O   8    2.4795     1.4372     3.7802     2.4952     4.3064     3.7870 
   C   9    1.4384     2.4750     2.4780     3.7932     3.7887     4.2889 

             Cl   7      O   8      C   9
              ---------------------------------
  Cl   7    0.0000 
   O   8    5.7380     0.0000 
   C   9    4.9771     2.8563     0.0000 



ATOMIC CHARGES
   C   1    0.0179086543
   C   2    0.1917742048
   C   3    0.0102953254
   C   4    0.0425605111
   C   5    0.0575603550
   C   6    0.0146544789
  Cl   7   -0.0822520765
   O   8   -0.2869081073
   C   9    0.0344066541


BOND ANGLES
   2    1    3  Car  Car  Car    120.227
   2    1    9  Car  Car   C3    119.637
   3    1    9  Car  Car   C3    120.136
   1    2    4  Car  Car  Car    119.752
   1    2    8  Car  Car   O3    120.075
   4    2    8  Car  Car   O3    120.174
   1    3    5  Car  Car  Car    120.832
   2    4    6  Car  Car  Car    119.657
   3    5    6  Car  Car  Car    118.819
   3    5    7  Car  Car   Cl    121.959
   6    5    7  Car  Car   Cl    119.221
   4    6    5  Car  Car  Car    120.712


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