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2,4-DIBROMOPHENOL
2,4-DIBROMOPHENOL
ID: BP-11833
CAS:615-58-7
Supplier:BroadPharm

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SMILES:c1(cc(ccc1O)Br)Br	
FORMULA: C6H4Br2O
MASS: 251.9034
EXACT MASS: 249.8628887
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4210     0.0000 
   C   3    1.4327     2.4730     0.0000 
   C   4    2.4791     2.8555     1.4354     0.0000 
   C   5    2.4784     1.4322     2.8692     2.4818     0.0000 
  Br   6    1.4354     2.4768     2.4791     3.7894     3.7906     0.0000 
   C   7    2.8535     2.4741     2.4716     1.4179     1.4392     4.2889 
  Br   8    3.7957     2.4980     4.3036     3.7860     1.4345     4.9747 
   O   9    2.4852     3.7847     1.4372     2.4928     4.3064     2.8603 

              C   7     Br   8      O   9
              ---------------------------------
   C   7    0.0000 
  Br   8    2.4856     0.0000 
   O   9    3.7866     5.7408     0.0000 



ATOMIC CHARGES
   C   1    0.0739128255
   C   2    0.0166013763
   C   3    0.2018472779
   C   4    0.0430509651
   C   5    0.0352597615
  Br   6   -0.0456581472
   C   7    0.0100092281
  Br   8   -0.0489804331
   O   9   -0.2860428542


BOND ANGLES
   2    1    3  Car  Car  Car    120.130
   2    1    6  Car  Car   Br    120.248
   3    1    6  Car  Car   Br    119.622
   1    2    5  Car  Car  Car    120.602
   1    3    4  Car  Car  Car    119.622
   1    3    9  Car  Car   O3    119.978
   4    3    9  Car  Car   O3    120.401
   3    4    7  Car  Car  Car    120.045
   2    5    8  Car  Car   Br    121.240
   2    5    7  Car  Car  Car    119.001
   7    5    8  Car  Car   Br    119.759
   4    7    5  Car  Car  Car    120.601


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