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Products Information

13-Bromo-1-tridecanol
13-Bromo-1-tridecanol ID: B184396
CAS:116754-58-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:BrCCCCCCCCCCCCCO	
FORMULA: C13H27BrO
MASS: 279.2569
EXACT MASS: 278.1245275
INTERATOMIC DISTANCES

             Br   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   O   2   10.0000     0.0000 
   C   3    0.8233     9.2967     0.0000 
   C   4    9.2967     0.8233     8.5750     0.0000 
   C   5    1.4333     8.5667     0.8305     7.8650     0.0000 
   C   6    8.5750     1.4250     7.8733     0.8233     7.1417     0.0000 
   C   7    5.7125     4.2875     5.0170     3.5987     4.2792     2.8625 
   C   8    6.4465     3.5905     5.7208     2.8542     5.0170     2.1811 
   C   9    7.1458     2.8542     6.4465     2.1811     5.7125     1.4292 
   C  10    7.8733     2.1769     7.1500     1.4250     6.4424     0.8233 
   C  11    2.1851     7.8650     1.4333     7.1417     0.8233     6.4424 
   C  12    2.8583     7.1417     2.1851     6.4424     1.4250     5.7167 
   C  13    3.5987     6.4382     2.8625     5.7125     2.1811     5.0170 
   C  14    4.2875     5.7125     3.5987     5.0170     2.8542     4.2875 
   C  15    5.0170     5.0170     4.2875     4.2875     3.5905     3.5987 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8305     0.0000 
   C   9    1.4333     0.8233     0.0000 
   C  10    2.1892     1.4292     0.8269     0.0000 
   C  11    3.5905     4.2875     5.0170     5.7167     0.0000 
   C  12    2.8542     3.5987     4.2875     5.0212     0.8233     0.0000 
   C  13    2.1769     2.8583     3.5945     4.2875     1.4292     0.8269 
   C  14    1.4250     2.1851     2.8583     3.5987     2.1811     1.4292 
   C  15    0.8233     1.4333     2.1851     2.8625     2.8542     2.1811 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8233     0.0000 
   C  15    1.4250     0.8233     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


BOND ANGLES
   1    3    5   Br   C3   C3    120.150
   2    4    6   O3   C3   C3    119.863
   3    5   11   C3   C3   C3    120.150
   4    6   10   C3   C3   C3    119.863
   8    7   15   C3   C3   C3    120.150
   7    8    9   C3   C3   C3    120.150
   8    9   10   C3   C3   C3    120.009
   6   10    9   C3   C3   C3    120.009
   5   11   12   C3   C3   C3    119.863
  11   12   13   C3   C3   C3    120.009
  12   13   14   C3   C3   C3    120.009
  13   14   15   C3   C3   C3    119.863
   7   15   14   C3   C3   C3    119.863


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