Sign In Join Free

Products Information

3,3-bis(chloromethyl)oxetane
3,3-bis(chloromethyl)oxetane ID: AN-42112
CAS:78-71-7
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:ClCC1(COC1)CCl	6550
FORMULA: C5H8Cl2O
MASS: 155.0224
EXACT MASS: 153.9952202
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    2.4495     0.0000 
   O   3    3.1196     2.5036     0.0000 
   C   4    1.7320     1.7320     1.4142     0.0000 
   C   5    2.6457     1.5060     1.0000     1.0000     0.0000 
   C   6    2.3942     2.6457     1.0000     1.0000     1.4142     0.0000 
   C   7    1.0000     2.3942     2.2361     1.0000     2.0000     1.4142 
   C   8    1.5060     1.0000     2.2361     1.0000     1.4142     2.0000 
   H   9    2.5121     0.8901     1.6200     1.1766     0.6200     1.9038 
   H  10    3.2380     1.6788     1.1766     1.6200     0.6200     1.9038 
   H  11    2.9035     3.2380     1.1766     1.6200     1.9038     0.6200 
   H  12    2.0631     2.9083     1.6200     1.1766     1.9038     0.6200 
   H  13    1.5968     2.7470     1.9320     1.0812     1.9884     0.9736 
   H  14    1.0813     2.9878     2.7001     1.5967     2.5913     1.7679 
   H  15    0.8898     1.5968     2.4849     1.0812     1.8413     1.9884 
   H  16    1.4739     1.0812     2.8529     1.5967     1.9934     2.5913 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4142     0.0000 
   H   9    2.0939     1.0698     0.0000 
   H  10    2.6200     1.9038     0.8768     0.0000 
   H  11    1.9038     2.6200     2.4531     2.2910     0.0000 
   H  12    1.0698     2.0939     2.2910     2.4531     0.8768     0.0000 
   H  13    0.6200     1.8413     2.2572     2.5854     1.3473     0.4752 
   H  14    0.6200     1.9934     2.7133     3.2096     2.1182     1.2439 
   H  15    0.9736     0.6200     1.6335     2.4025     2.5854     1.8923 
   H  16    1.7679     0.6200     1.5478     2.4209     3.2096     2.6146 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.5291     1.4712     0.0000 
   H  16    2.2963     2.2582     0.7971     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1246518387
  Cl   2   -0.1246518387
   O   3   -0.3783621336
   C   4    0.0440952750
   C   5    0.0575745854
   C   6    0.0575745854
   C   7    0.0335265023
   C   8    0.0335265023
   H   9    0.0566667884
   H  10    0.0566667884
   H  11    0.0566667884
   H  12    0.0566667884
   H  13    0.0436753017
   H  14    0.0436753017
   H  15    0.0436753017
   H  16    0.0436753017


BOND ANGLES
   5    3    6   C3   O3   C3     90.000
   5    4    6   C3   C3   C3     90.000
   5    4    7   C3   C3   C3    179.974
   5    4    8   C3   C3   C3     90.000
   6    4    7   C3   C3   C3     90.000
   6    4    8   C3   C3   C3    179.974
   7    4    8   C3   C3   C3     90.000
   3    5    4   O3   C3   C3     90.000
   3    5    9   O3   C3   HC    179.974
   3    5   10   O3   C3   HC     90.000
   4    5    9   C3   C3   HC     90.000
   4    5   10   C3   C3   HC    179.974
   9    5   10   HC   C3   HC     90.000
   3    6    4   O3   C3   C3     90.000
   3    6   11   O3   C3   HC     90.000
   3    6   12   O3   C3   HC    179.974
   4    6   11   C3   C3   HC    179.974
   4    6   12   C3   C3   HC     90.000
  11    6   12   HC   C3   HC     90.000
   1    7    4   Cl   C3   C3    120.001
   1    7   13   Cl   C3   HC    160.002
   1    7   14   Cl   C3   HC     80.004
   4    7   13   C3   C3   HC     79.997
   4    7   14   C3   C3   HC    159.996
  13    7   14   HC   C3   HC     79.999
   2    8    4   Cl   C3   C3    120.001
   2    8   15   Cl   C3   HC    160.002
   2    8   16   Cl   C3   HC     79.995
   4    8   15   C3   C3   HC     79.997
   4    8   16   C3   C3   HC    160.004
  15    8   16   HC   C3   HC     80.007


TORSION ANGLES
   6    3    5    4      0.026
   6    3    5    9    180.000
   6    3    5   10    179.974
   5    3    6    4      0.026
   5    3    6   11    179.974
   5    3    6   12    180.000
   6    4    5    3      0.026
   6    4    5    9    179.974
   6    4    5   10    180.000
   7    4    5    3    180.000
   7    4    5    9    180.000
   7    4    5   10    180.000
   8    4    5    3    179.974
   8    4    5    9      0.026
   8    4    5   10    180.000
   5    4    6    3      0.026
   5    4    6   11    180.000
   5    4    6   12    179.974
   7    4    6    3    179.974
   7    4    6   11    180.000
   7    4    6   12      0.026
   8    4    6    3    180.000
   8    4    6   11    180.000
   8    4    6   12    180.000
   5    4    7    1    180.000
   5    4    7   13    180.000
   5    4    7   14    180.000
   6    4    7    1    179.974
   6    4    7   13      0.026
   6    4    7   14      0.026
   8    4    7    1      0.026
   8    4    7   13    179.974
   8    4    7   14    179.974
   5    4    8    2      0.026
   5    4    8   15    179.974
   5    4    8   16    179.974
   6    4    8    2    180.000
   6    4    8   15    180.000
   6    4    8   16    180.000
   7    4    8    2    179.974
   7    4    8   15      0.026
   7    4    8   16      0.026