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(S)-1-(3-chlorophenoxy)-3-aminopropan-2-ol
(S)-1-(3-chlorophenoxy)-3-aminopropan-2-ol
ID: BP-11754
Supplier:BroadPharm

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SMILES:c1c(OC[C@@H](O)CN)cccc1Cl	
FORMULA: C9H12ClNO2
MASS: 201.6501
EXACT MASS: 201.0556563
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.0375     0.0000 
   C   3    0.5975     0.5989     0.0000 
   C   4    0.6010     1.5861     1.0375     0.0000 
   C   5    2.0750     1.0375     1.5861     2.6126     0.0000 
   C   6    1.5837     0.5975     1.0375     2.0750     0.6010     0.0000 
  Cl   7    1.0375     2.0750     1.5821     0.5954     3.1125     2.6090 
   N   8    3.1167     2.0792     2.6168     3.6495     1.0417     1.5910 
   O   9    2.1588     1.1985     1.7974     2.7460     0.6000     1.0398 
   C  10    1.2000     1.5831     1.0378     1.0398     2.3949     1.7939 
   C  11    2.6137     1.5870     2.0792     3.1167     0.6011     1.0417 
   C  12    1.0378     1.0362     0.6000     1.1985     1.7974     1.1964 
   C  13    1.0398     1.7974     1.1985     0.6000     2.7460     2.1588 

             Cl   7      N   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   N   8    4.1542     0.0000 
   O   9    3.1698     1.2021     0.0000 
   C  10    1.5831     3.3382     2.7442     0.0000 
   C  11    3.6458     0.6010     1.0399     2.7461     0.0000 
   C  12    1.7939     2.7500     2.1600     0.5975     2.1629     0.0000 
   C  13    1.0341     3.7462     2.9959     0.6010     3.1731     1.0375 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0482781619
   O   2   -0.4726384921
   C   3    0.1395186653
   C   4    0.0606880608
   C   5    0.2142365673
   C   6    0.2395588589
  Cl   7   -0.0821416355
   N   8   -0.1284650690
   O   9   -0.2175155485
   C  10    0.0039777955
   C  11    0.1459519978
   C  12    0.0369542788
   C  13    0.0115963587


BOND ANGLES
   3    1    4  Car  Car  Car    119.917
   3    2    6  Car   O3   C3    120.265
   1    3    2  Car  Car   O3    120.265
   2    3   12   O3  Car  Car    119.595
   1    3   12  Car  Car  Car    120.140
   1    4    7  Car  Car   Cl    120.266
   1    4   13  Car  Car  Car    119.944
   7    4   13   Cl  Car  Car    119.790
   6    5    9   C3   C3   O3    119.944
   6    5   11   C3   C3   C3    120.118
   9    5   11   O3   C3   C3    119.939
   2    6    5   O3   C3   C3    119.917
  12   10   13  Car  Car  Car    119.917
   5   11    8   C3   C3   N3    120.118
   3   12   10  Car  Car  Car    120.140
   4   13   10  Car  Car  Car    119.944


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


CHIRAL ATOMS
   4   13   10   12      0.026