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4-Fluoro-3-methylanisole
4-Fluoro-3-methylanisole ID: API-45543
CAS:2338-54-7
Supplier:APIchem

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SMILES:Fc1c(cc(OC)cc1)C	ChemMol.com
FORMULA: C8H9FO
MASS: 140.1549
EXACT MASS: 140.0637431
INTERATOMIC DISTANCES

              F   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    4.0000     0.0000 
   C   3    1.7320     2.6458     0.0000 
   C   4    2.6458     1.7320     1.0001     0.0000 
   C   5    3.0000     1.0000     1.7321     1.0000     0.0000 
   C   6    1.0000     3.0000     1.0000     1.7321     2.0000     0.0000 
   C   7    2.6457     1.7321     2.0000     1.7321     1.0001     1.7320 
   C   8    1.7320     2.6458     1.7320     2.0000     1.7321     1.0000 
   C   9    2.0000     3.4641     1.0000     1.7321     2.6458     1.7320 
   C  10    4.5826     1.0000     3.4641     2.6457     1.7320     3.6056 
   H  11    3.1408     1.8397     1.4158     0.6200     1.4158     2.2901 
   H  12    3.1407     1.8397     2.6200     2.2901     1.4158     2.2901 
   H  13    1.8397     3.1408     2.2900     2.6200     2.2901     1.4158 
   H  14    2.5558     3.1995     1.1766     1.5201     2.5121     2.1114 
   H  15    2.3715     4.0131     1.6200     2.2901     3.2380     2.2901 
   H  16    1.4955     3.8121     1.1766     2.1115     2.9083     1.5200 
   H  17    4.1339     1.1766     3.1995     2.5121     1.5200     3.1879 
   H  18    5.0104     1.6200     4.0131     3.2380     2.2901     4.0601 
   H  19    5.0675     1.1766     3.8121     2.9083     2.1114     4.0751 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    3.0000     2.6457     0.0000 
   C  10    2.0000     3.0000     4.3589     0.0000 
   H  11    2.2901     2.6200     1.8397     2.8292     0.0000 
   H  12    0.6200     1.4158     3.6200     1.7733     2.8059     0.0000 
   H  13    1.4157     0.6200     3.1407     3.3533     3.2400     1.6199 
   H  14    3.0634     2.9083     0.6200     4.1517     1.4245     3.6727 
   H  15    3.6200     3.2380     0.6200     4.9340     2.2901     4.2400 
   H  16    3.0634     2.5121     0.6200     4.6403     2.3470     3.6727 
   H  17    1.4956     2.4825     4.1517     0.6200     2.8250     1.1752 
   H  18    2.3716     3.3533     4.9340     0.6200     3.4458     2.0000 
   H  19    2.5559     3.5505     4.6403     0.6200     2.9660     2.3826 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.4624     0.0000 
   H  15    3.7058     0.8768     0.0000 
   H  16    2.9170     1.2400     0.8768     0.0000 
   H  17    2.7823     4.0302     4.7520     4.3589     0.0000 
   H  18    3.6200     4.7520     5.5189     5.1843     0.8768     0.0000 
   H  19    3.9391     4.3589     5.1843     4.9833     1.2400     0.8768 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   F   1   -0.2052098715
   O   2   -0.4951001919
   C   3   -0.0118162336
   C   4   -0.0143255253
   C   5    0.1205173036
   C   6    0.1265137067
   C   7   -0.0172283075
   C   8   -0.0227378356
   C   9   -0.0368757074
   C  10    0.0787863379
   H  11    0.0657520367
   H  12    0.0654872044
   H  13    0.0647334141
   H  14    0.0278414053
   H  15    0.0278414053
   H  16    0.0278414053
   H  17    0.0659931513
   H  18    0.0659931513
   H  19    0.0659931513


BOND ANGLES
   5    2   10  Car   O3   C3    120.001
   4    3    6  Car  Car  Car    120.001
   4    3    9  Car  Car   C3    119.998
   6    3    9  Car  Car   C3    120.001
   3    4    5  Car  Car  Car    119.998
   3    4   11  Car  Car   HC    120.000
   5    4   11  Car  Car   HC    120.002
   2    5    4   O3  Car  Car    120.001
   2    5    7   O3  Car  Car    120.001
   4    5    7  Car  Car  Car    119.998
   1    6    3    F  Car  Car    119.999
   1    6    8    F  Car  Car    120.001
   3    6    8  Car  Car  Car    120.001
   5    7    8  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    119.998
   8    7   12  Car  Car   HC    120.001
   6    8    7  Car  Car  Car    120.001
   6    8   13  Car  Car   HC    120.002
   7    8   13  Car  Car   HC    119.998
   3    9   14  Car   C3   HC     90.000
   3    9   15  Car   C3   HC    179.974
   3    9   16  Car   C3   HC     90.000
  14    9   15   HC   C3   HC     90.000
  14    9   16   HC   C3   HC    179.974
  15    9   16   HC   C3   HC     90.000
   2   10   17   O3   C3   HC     90.000
   2   10   18   O3   C3   HC    179.974
   2   10   19   O3   C3   HC     90.000
  17   10   18   HC   C3   HC     90.000
  17   10   19   HC   C3   HC    179.974
  18   10   19   HC   C3   HC     90.000


TORSION ANGLES
  10    2    5    4    179.974
  10    2    5    7      0.026
   5    2   10   17      0.026
   5    2   10   18    180.000
   5    2   10   19    179.974
   6    3    4    5      0.026
   6    3    4   11    179.974
   9    3    4    5    179.974
   9    3    4   11      0.026
   4    3    6    1    179.974
   4    3    6    8      0.026
   9    3    6    1      0.026
   9    3    6    8    179.974
   4    3    9   14      0.026
   4    3    9   15    180.000
   4    3    9   16    179.974
   6    3    9   14    179.974
   6    3    9   15    180.000
   6    3    9   16      0.026
   3    4    5    2    179.974
   3    4    5    7      0.026
  11    4    5    2      0.026
  11    4    5    7    179.974
   2    5    7    8    179.974
   2    5    7   12      0.026
   4    5    7    8      0.026
   4    5    7   12    179.974
   1    6    8    7    179.974
   1    6    8   13      0.026
   3    6    8    7      0.026
   3    6    8   13    179.974
   5    7    8    6      0.026
   5    7    8   13    179.974
  12    7    8    6    179.974
  12    7    8   13      0.026