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(2-chloro-6-fluoro-phenyl)methanol
(2-chloro-6-fluoro-phenyl)methanol ID: AN-40160
CAS:56456-50-9
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1c(CO)c(F)ccc1	91868
FORMULA: C7H6ClFO
MASS: 160.5733
EXACT MASS: 160.0091207
INTERATOMIC DISTANCES

             Cl   1      F   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    3.4641     0.0000 
   O   3    3.0000     1.7320     0.0000 
   C   4    1.7320     1.7321     1.7321     0.0000 
   C   5    2.0000     2.0000     1.0001     1.0000     0.0000 
   C   6    1.0000     2.6458     2.6458     1.0000     1.7320     0.0000 
   C   7    2.6458     1.0000     2.0000     1.0001     1.7321     1.7321 
   C   8    1.7320     3.0000     3.4641     1.7320     2.6457     1.0000 
   C   9    3.0000     1.7320     3.0000     1.7321     2.6458     2.0000 
   C  10    2.6457     2.6458     3.6056     2.0000     3.0000     1.7320 
   H  11    2.1943     2.5068     1.0813     1.5967     0.6200     2.1829 
   H  12    1.4332     2.5068     1.5968     1.0812     0.6199     1.4155 
   H  13    1.8397     3.6200     4.0130     2.2900     3.1407     1.4158 
   H  14    3.6200     1.8397     3.3533     2.2901     3.1408     2.6200 
   H  15    3.1407     3.1408     4.2101     2.6200     3.6200     2.2901 
   H  16    3.3533     2.2901     0.6200     2.2901     1.4158     3.1408 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     1.0001     0.0000 
   H  11    2.3451     3.1512     3.2657     3.5889     0.0000 
   H  12    2.0295     2.4059     2.8113     2.9560     0.7971     0.0000 
   H  13    2.6200     0.6200     2.2901     1.4157     3.5955     2.8161 
   H  14    1.4158     2.2901     0.6200     1.4158     3.7574     3.3700 
   H  15    2.2901     1.4158     1.4158     0.6200     4.2079     3.5650 
   H  16    2.6200     4.0131     3.6200     4.2101     1.2046     1.9203 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    1.6199     1.6200     0.0000 
   H  16    4.5380     3.9665     4.8185     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0830926160
   F   2   -0.2050782122
   O   3   -0.3902772814
   C   4    0.0312297908
   C   5    0.0733029118
   C   6    0.0490575270
   C   7    0.1301295370
   C   8   -0.0428747144
   C   9   -0.0260141492
   C  10   -0.0576508935
   H  11    0.0608456767
   H  12    0.0608456767
   H  13    0.0632183391
   H  14    0.0646217799
   H  15    0.0618873916
   H  16    0.2098492362


BOND ANGLES
   5    3   16   C3   O3   HO    119.998
   5    4    6   C3  Car  Car    120.001
   5    4    7   C3  Car  Car    119.998
   6    4    7  Car  Car  Car    120.001
   3    5    4   O3   C3  Car    119.998
   3    5   11   O3   C3   HC     79.998
   3    5   12   O3   C3   HC    160.007
   4    5   11  Car   C3   HC    160.004
   4    5   12  Car   C3   HC     79.995
  11    5   12   HC   C3   HC     80.009
   1    6    4   Cl  Car  Car    119.999
   1    6    8   Cl  Car  Car    120.001
   4    6    8  Car  Car  Car    120.001
   2    7    4    F  Car  Car    120.001
   2    7    9    F  Car  Car    120.001
   4    7    9  Car  Car  Car    119.998
   6    8   10  Car  Car  Car    120.001
   6    8   13  Car  Car   HC    120.002
  10    8   13  Car  Car   HC    119.998
   7    9   10  Car  Car  Car    119.998
   7    9   14  Car  Car   HC    120.002
  10    9   14  Car  Car   HC    120.000
   8   10    9  Car  Car  Car    120.001
   8   10   15  Car  Car   HC    120.001
   9   10   15  Car  Car   HC    119.998


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