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2-Amino-1-(2-iodo-phenyl)-ethanol 1HCl salt
2-Amino-1-(2-iodo-phenyl)-ethanol 1HCl salt ID: B204069
CAS:133562-34-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(I)cccc1)C(O)CN	
FORMULA: C8H10INO
MASS: 263.0756
EXACT MASS: 262.9807119
INTERATOMIC DISTANCES

              C   1      C   2      C   3      I   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.5954     1.0375     0.0000 
   I   4    1.0363     0.5959     1.1985     0.0000 
   N   5    1.5821     2.0750     1.0375     2.1600     0.0000 
   O   6    1.0342     1.1965     0.6000     1.0375     1.1985     0.0000 
   C   7    0.6000     1.0398     1.0342     1.5840     1.7939     1.5826 
   C   8    1.0334     1.5829     0.5954     1.7939     0.5990     1.0342 
   C   9    1.0416     0.6010     1.5861     1.0363     2.6126     1.7975 
   C  10    1.0398     1.2000     1.5832     1.7959     2.3950     2.0740 
   C  11    1.2021     1.0398     1.7975     1.5840     2.7461     2.1601 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.1950     0.0000 
   C   9    1.2021     2.0750     0.0000 
   C  10    0.6010     1.7960     1.0398     0.0000 
   C  11    1.0416     2.1600     0.6000     0.6010     0.0000 



ATOMIC CHARGES
   C   1    0.0145640449
   C   2    0.0284933794
   C   3    0.1935853945
   I   4   -0.0427710428
   N   5   -0.1282185565
   O   6   -0.2166652709
   C   7   -0.0013689115
   C   8    0.1466376543
   C   9    0.0055437982
   C  10   -0.0002175227
   C  11    0.0004170332


BOND ANGLES
   2    1    3  Car  Car   C3    120.258
   2    1    7  Car  Car  Car    119.944
   3    1    7   C3  Car  Car    119.799
   1    2    4  Car  Car    I    119.944
   1    2    9  Car  Car  Car    120.113
   4    2    9    I  Car  Car    119.944
   1    3    6  Car   C3   O3    119.799
   1    3    8  Car   C3   C3    120.403
   6    3    8   O3   C3   C3    119.799
   1    7   10  Car  Car  Car    119.944
   3    8    5   C3   C3   N3    120.598
   2    9   11  Car  Car  Car    119.944
   7   10   11  Car  Car  Car    120.113
   9   11   10  Car  Car  Car    119.944


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    7    179.974
   9    2    1    3    179.974
   9    2    1    7      0.026
   6    3    1    2      0.026
   6    3    1    7    179.974
   8    3    1    2    179.974
   8    3    1    7      0.026
  10    7    1    2      0.026
  10    7    1    3    179.974
   5    8    3    1    179.974
   5    8    3    6      0.026
  11    9    2    1      0.026
  11    9    2    4    179.974
  11   10    7    1      0.026
  10   11    9    2      0.026
   7   10   11    9      0.026


CHIRAL ATOMS
   7   10   11    9      0.026