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2-Amino-1-(2-bromo-phenyl)-ethanol 1HCl salt
2-Amino-1-(2-bromo-phenyl)-ethanol 1HCl salt ID: B204063
CAS:849928-37-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Br)cccc1)C(O)CN	
FORMULA: C8H10BrNO
MASS: 216.0751
EXACT MASS: 214.9945759
INTERATOMIC DISTANCES

              C   1      C   2      C   3     Br   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.5975     1.0375     0.0000 
  Br   4    1.0362     0.5958     1.1964     0.0000 
   N   5    1.5829     2.0750     1.0375     2.1588     0.0000 
   O   6    1.0341     1.1964     0.5958     1.0375     1.1964     0.0000 
   C   7    0.6000     1.0398     1.0378     1.5839     1.7960     1.5825 
   C   8    1.0333     1.5828     0.5974     1.7938     0.6011     1.0341 
   C   9    1.0417     0.6011     1.5870     1.0362     2.6132     1.7975 
   C  10    1.0398     1.2000     1.5863     1.7958     2.3970     2.0740 
   C  11    1.2021     1.0399     1.7996     1.5839     2.7475     2.1601 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.1949     0.0000 
   C   9    1.2021     2.0750     0.0000 
   C  10    0.6010     1.7959     1.0399     0.0000 
   C  11    1.0417     2.1600     0.6000     0.6011     0.0000 



ATOMIC CHARGES
   C   1    0.0154120649
   C   2    0.0329946474
   C   3    0.1936507683
  Br   4   -0.0492467264
   N   5   -0.1282185249
   O   6   -0.2166629250
   C   7   -0.0013008907
   C   8    0.1466399772
   C   9    0.0064576620
   C  10   -0.0002131794
   C  11    0.0004871264


BOND ANGLES
   2    1    3  Car  Car   C3    119.917
   2    1    7  Car  Car  Car    119.944
   3    1    7   C3  Car  Car    120.140
   1    2    4  Car  Car   Br    119.944
   1    2    9  Car  Car  Car    120.118
   4    2    9   Br  Car  Car    119.939
   1    3    6  Car   C3   O3    120.140
   1    3    8  Car   C3   C3    119.716
   6    3    8   O3   C3   C3    120.145
   1    7   10  Car  Car  Car    119.944
   3    8    5   C3   C3   N3    119.917
   2    9   11  Car  Car  Car    119.939
   7   10   11  Car  Car  Car    120.118
   9   11   10  Car  Car  Car    119.939


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