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16-Bromo-1-hexadecanol
16-Bromo-1-hexadecanol ID: B184394
CAS:59101-28-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:BrCCCCCCCCCCCCCCCCO	
FORMULA: C16H33BrO
MASS: 321.3366
EXACT MASS: 320.1714777
INTERATOMIC DISTANCES

             Br   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   O   2   10.9394     0.0000 
   C   3    0.7463    10.2833     0.0000 
   C   4   10.2875     0.7426     9.6445     0.0000 
   C   5    1.2875     9.6528     0.7354     9.0000     0.0000 
   C   6    9.6570     1.2833     9.0000     0.7354     8.3705     0.0000 
   C   7    7.0845     3.8583     6.4250     3.2334     5.7991     2.5750 
   C   8    7.7208     3.2334     7.0803     2.5667     6.4333     1.9637 
   C   9    8.3705     2.5708     7.7125     1.9596     7.0845     1.2875 
   C  10    9.0083     1.9596     8.3663     1.2792     7.7208     0.7391 
   C  11    2.5750     8.3663     1.9596     7.7125     1.2875     7.0845 
   C  12    1.9678     9.0000     1.2833     8.3622     0.7426     7.7167 
   C  13    3.2416     7.7125     2.5708     7.0762     1.9678     6.4292 
   C  14    3.8625     7.0803     3.2334     6.4250     2.5750     5.7991 
   C  15    4.5149     6.4333     3.8500     5.7991     3.2334     5.1500 
   C  16    5.1500     5.7949     4.5149     5.1375     3.8625     4.5149 
   C  17    5.7991     5.1458     5.1375     4.5149     4.5149     3.8625 
   C  18    6.4333     4.5149     5.7949     3.8542     5.1458     3.2375 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7426     0.0000 
   C   9    1.2875     0.7391     0.0000 
   C  10    1.9678     1.2875     0.7426     0.0000 
   C  11    4.5149     5.1458     5.7991     6.4333     0.0000 
   C  12    5.1417     5.7991     6.4292     7.0845     0.7391     0.0000 
   C  13    3.8542     4.5149     5.1417     5.7991     0.7426     1.2875 
   C  14    3.2334     3.8583     4.5149     5.1458     1.2875     1.9637 
   C  15    2.5750     3.2416     3.8625     4.5232     1.9596     2.5667 
   C  16    1.9596     2.5708     3.2334     3.8583     2.5750     3.2375 
   C  17    1.2875     1.9678     2.5750     3.2416     3.2334     3.8542 
   C  18    0.7391     1.2875     1.9637     2.5750     3.8583     4.5149 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.7391     0.0000 
   C  15    1.2792     0.7354     0.0000 
   C  16    1.9637     1.2875     0.7463     0.0000 
   C  17    2.5667     1.9596     1.2875     0.7354     0.0000 
   C  18    3.2334     2.5708     1.9678     1.2833     0.7426     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    0.0000279338
   C  12    0.0009027022
   C  13    0.0000003475
   C  14    0.0000000014
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000


BOND ANGLES
   1    3    5   Br   C3   C3    120.662
   2    4    6   O3   C3   C3    120.503
   3    5   12   C3   C3   C3    120.503
   4    6   10   C3   C3   C3    120.346
   8    7   18   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
  12   11   13   C3   C3   C3    120.665
   5   12   11   C3   C3   C3    120.665
  11   13   14   C3   C3   C3    120.665
  13   14   15   C3   C3   C3    120.346
  14   15   16   C3   C3   C3    120.662
  15   16   17   C3   C3   C3    120.662
  16   17   18   C3   C3   C3    120.503
   7   18   17   C3   C3   C3    120.665


TORSION ANGLES
   2    4    6   10    179.974
  12    5    3    1    179.974
   4    6   10    9    179.974
   8    7   18   17    179.974
   9    8    7   18    179.974
  10    9    8    7    179.974
   6   10    9    8    179.974
  13   11   12    5    179.974
  11   12    5    3    179.974
  14   13   11   12    179.974
  15   14   13   11    179.974
  16   15   14   13    179.974
  17   16   15   14    179.974
  18   17   16   15    179.974
   7   18   17   16    179.974