Sign In Join Free

Products Information

3-chloro-2-methyl-prop-1-ene
3-chloro-2-methyl-prop-1-ene ID: AN-45945
CAS:563-47-3
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:ClCC(=C)C	11241
FORMULA: C4H7Cl
MASS: 90.5514
EXACT MASS: 90.0236279
INTERATOMIC DISTANCES

             Cl   1      C   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    2.6458     1.0000     1.7320     0.0000 
   C   5    2.0000     1.0000     1.7320     1.7320     0.0000 
   H   6    1.0813     1.5968     0.6201     2.1829     2.3452     0.0000 
   H   7    1.5968     1.0813     0.6200     1.4156     2.0296     0.7971 
   H   8    2.5121     1.1766     1.5200     0.6200     2.1114     1.8217 
   H   9    3.2380     1.6199     2.2900     0.6200     2.2900     2.6726 
   H  10    2.9083     1.1766     2.1114     0.6200     1.5200     2.6421 
   H  11    2.6200     1.4158     2.2900     1.8397     0.6200     2.9097 
   H  12    1.7732     1.4158     1.8397     2.2901     0.6201     2.3980 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.0254     0.0000 
   H   9    1.8777     0.8768     0.0000 
   H  10    1.9300     1.2399     0.8768     0.0000 
   H  11    2.4960     2.3470     2.2901     1.4245     0.0000 
   H  12    2.2861     2.5889     2.8736     2.1343     1.0739     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1207489003
   C   2   -0.0652163988
   C   3    0.0431434340
   C   4   -0.0429266872
   C   5   -0.0985952547
   H   6    0.0475106688
   H   7    0.0475106688
   H   8    0.0274630677
   H   9    0.0274630677
   H  10    0.0274630677
   H  11    0.0534666332
   H  12    0.0534666332


BOND ANGLES
   3    2    4   C3   C2   C3    119.999
   3    2    5   C3   C2   C2    120.001
   4    2    5   C3   C2   C2    120.001
   1    3    2   Cl   C3   C2    120.001
   1    3    6   Cl   C3   HC     79.996
   1    3    7   Cl   C3   HC    159.993
   2    3    6   C2   C3   HC    160.003
   2    3    7   C2   C3   HC     80.006
   6    3    7   HC   C3   HC     79.997
   2    4    8   C2   C3   HC     89.999
   2    4    9   C2   C3   HC    179.974
   2    4   10   C2   C3   HC     90.001
   8    4    9   HC   C3   HC     90.000
   8    4   10   HC   C3   HC    179.974
   9    4   10   HC   C3   HC     90.000
   2    5   11   C2   C2   HC    120.002
   2    5   12   C2   C2   HC    119.997
  11    5   12   HC   C2   HC    120.001


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