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14-Bromo-1-tetradecanol
14-Bromo-1-tetradecanol ID: B184395
CAS:72995-94-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:BrCCCCCCCCCCCCCCO	
FORMULA: C14H29BrO
MASS: 293.2835
EXACT MASS: 292.1401775
INTERATOMIC DISTANCES

             Br   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   O   2    9.6445     0.0000 
   C   3    0.7354     9.0000     0.0000 
   C   4    9.0000     0.7354     8.3705     0.0000 
   C   5    1.2833     8.3622     0.7426     7.7167     0.0000 
   C   6    8.3663     1.2792     7.7208     0.7391     7.0845     0.0000 
   C   7    5.7949     3.8542     5.1458     3.2375     4.5149     2.5750 
   C   8    6.4250     3.2334     5.7991     2.5750     5.1417     1.9678 
   C   9    7.0803     2.5667     6.4333     1.9637     5.7991     1.2875 
   C  10    7.7125     1.9596     7.0845     1.2875     6.4292     0.7426 
   C  11    1.9596     7.7125     1.2875     7.0845     0.7391     6.4333 
   C  12    2.5708     7.0762     1.9678     6.4292     1.2875     5.7991 
   C  13    3.2334     6.4250     2.5750     5.7991     1.9637     5.1458 
   C  14    3.8583     5.7908     3.2416     5.1417     2.5750     4.5149 
   C  15    4.5149     5.1375     3.8625     4.5149     3.2375     3.8583 
   C  16    5.1375     4.5149     4.5149     3.8625     3.8542     3.2416 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7391     0.0000 
   C   9    1.2875     0.7426     0.0000 
   C  10    1.9637     1.2875     0.7391     0.0000 
   C  11    3.8583     4.5149     5.1458     5.7991     0.0000 
   C  12    3.2334     3.8542     4.5149     5.1417     0.7426     0.0000 
   C  13    2.5708     3.2334     3.8583     4.5149     1.2875     0.7391 
   C  14    1.9596     2.5667     3.2334     3.8542     1.9678     1.2875 
   C  15    1.2833     1.9596     2.5708     3.2334     2.5750     1.9637 
   C  16    0.7426     1.2875     1.9678     2.5750     3.2334     2.5667 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.7426     0.0000 
   C  15    1.2875     0.7391     0.0000 
   C  16    1.9596     1.2792     0.7354     0.0000 



ATOMIC CHARGES
  Br   1   -0.0807824816
   O   2   -0.2204259956
   C   3    0.0676159100
   C   4    0.1821034311
   C   5    0.0122355867
   C   6    0.0355472631
   C   7    0.0000000042
   C   8    0.0000010495
   C   9    0.0000840175
   C  10    0.0026902302
   C  11    0.0009027022
   C  12    0.0000279338
   C  13    0.0000003475
   C  14    0.0000000014
   C  15    0.0000000000
   C  16    0.0000000000


BOND ANGLES
   1    3    5   Br   C3   C3    120.503
   2    4    6   O3   C3   C3    120.346
   3    5   11   C3   C3   C3    120.665
   4    6   10   C3   C3   C3    120.665
   8    7   16   C3   C3   C3    120.665
   7    8    9   C3   C3   C3    120.665
   8    9   10   C3   C3   C3    120.665
   6   10    9   C3   C3   C3    120.665
   5   11   12   C3   C3   C3    120.665
  11   12   13   C3   C3   C3    120.665
  12   13   14   C3   C3   C3    120.665
  13   14   15   C3   C3   C3    120.665
  14   15   16   C3   C3   C3    120.346
   7   16   15   C3   C3   C3    120.503


TORSION ANGLES
   2    4    6   10    179.974
  11    5    3    1    179.974
   4    6   10    9    179.974
   8    7   16   15    179.974
   9    8    7   16    179.974
  10    9    8    7    179.974
   6   10    9    8    179.974
  12   11    5    3    179.974
  13   12   11    5    179.974
  14   13   12   11    179.974
  15   14   13   12    179.974
  16   15   14   13    179.974
   7   16   15   14    179.974