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2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204013
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(CCc1ccc(c2)Br)N)O	
FORMULA: C10H12BrNO
MASS: 242.1124
EXACT MASS: 241.0102260
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5975     0.0000 
   C   3    0.6000     1.0378     0.0000 
   C   4    0.6010     1.0375     1.0398     0.0000 
   C   5    1.0375     0.6010     1.1985     1.5869     0.0000 
   C   6    1.0378     1.2000     0.5975     1.5863     1.0398     0.0000 
   C   7    1.1985     1.0398     1.0375     1.7995     0.6000     0.6010 
   C   8    1.0398     1.5863     0.6010     1.2000     1.7995     1.0375 
   C   9    1.0416     1.5869     1.2021     0.6010     2.0791     1.7995 
   O  10    1.0378     0.6000     1.5865     1.1985     1.0398     1.8000 
   N  11    1.5870     1.0417     1.7996     2.0792     0.6011     1.5891 
   C  12    1.2021     1.7995     1.0416     1.0398     2.1639     1.5869 
  Br  13    1.5869     2.0750     1.7995     1.0375     2.6131     2.3970 

              C   7      C   8      C   9      O  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5869     0.0000 
   C   9    2.1639     1.0398     0.0000 
   O  10    1.5878     2.0776     1.7995     0.0000 
   N  11    1.0399     2.4006     2.6173     1.2021     0.0000 
   C  12    2.0791     0.6010     0.6000     2.1629     2.7514     0.0000 
  Br  13    2.7474     1.5863     0.5975     2.1600     3.1167     1.0378 

             Br  13
              -----------
  Br  13    0.0000 



ATOMIC CHARGES
   C   1    0.0056715372
   C   2    0.1913600017
   C   3   -0.0236628446
   C   4    0.0045914152
   C   5    0.1266324378
   C   6    0.0276947825
   C   7    0.0266461436
   C   8   -0.0039944258
   C   9    0.0343107881
   O  10   -0.2167435199
   N  11   -0.1298532422
   C  12    0.0063552327
  Br  13   -0.0490083064


BOND ANGLES
   2    1    3   C3  Car  Car    120.140
   2    1    4   C3  Car  Car    119.917
   3    1    4  Car  Car  Car    119.944
   1    2    5  Car   C3   C3    119.917
   1    2   10  Car   C3   O3    120.140
   5    2   10   C3   C3   O3    119.944
   1    3    6  Car  Car   C3    120.140
   1    3    8  Car  Car  Car    119.944
   6    3    8   C3  Car  Car    119.917
   1    4    9  Car  Car  Car    120.113
   2    5    7   C3   C3   C3    119.944
   2    5   11   C3   C3   N3    120.118
   7    5   11   C3   C3   N3    119.939
   3    6    7  Car   C3   C3    119.917
   5    7    6   C3   C3   C3    119.944
   3    8   12  Car  Car  Car    120.113
   4    9   12  Car  Car  Car    119.944
   4    9   13  Car  Car   Br    119.917
  12    9   13  Car  Car   Br    120.140
   8   12    9  Car  Car  Car    119.944


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
  10    2    1    3    179.974
  10    2    1    4      0.026
   6    3    1    2      0.026
   6    3    1    4    179.974
   8    3    1    2    179.974
   8    3    1    4      0.026
   9    4    1    2    179.974
   9    4    1    3      0.026
   7    5    2    1      0.026
   7    5    2   10    179.974
  11    5    2    1    179.974
  11    5    2   10      0.026
   7    6    3    1      0.026
   7    6    3    8    179.974
   6    7    5    2      0.026
   6    7    5   11    179.974
  12    8    3    1      0.026
  12    8    3    6    179.974
  12    9    4    1      0.026
  13    9    4    1    179.974
   8   12    9    4      0.026
   8   12    9   13    179.974
   5    7    6    3      0.026
   3    8   12    9      0.026


CHIRAL ATOMS
   3    8   12    9      0.026
   3    8   12    9      0.026