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2-Fluoro-4-cyanobenzaldehyde
2-Fluoro-4-cyanobenzaldehyde ID: API-28717
CAS:105942-10-7
Supplier:APIchem

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SMILES:Fc1c(ccc(c1)C#N)C=O	ChemMol.com
FORMULA: C8H4FNO
MASS: 149.1219
EXACT MASS: 149.0276920
INTERATOMIC DISTANCES

              F   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    3.0000     0.0000 
   N   3    4.3589     5.5678     0.0000 
   C   4    1.7320     1.7321     4.0000     0.0000 
   C   5    1.0000     2.6458     3.6055     1.0000     0.0000 
   C   6    2.6458     2.0000     3.6056     1.0001     1.7321     0.0000 
   C   7    2.6457     3.6056     2.0000     2.0000     1.7320     1.7321 
   C   8    1.7320     3.4641     2.6457     1.7320     1.0000     2.0000 
   C   9    3.0000     3.0000     2.6458     1.7321     2.0000     1.0000 
   C  10    2.0000     1.0001     5.0000     1.0000     1.7320     1.7321 
   C  11    3.4641     4.5826     1.0000     3.0000     2.6457     2.6458 
   H  12    3.1408     1.7732     4.0601     1.4158     2.2901     0.6200 
   H  13    1.8397     4.0130     2.6008     2.2900     1.4158     2.6200 
   H  14    3.6200     3.3533     2.6009     2.2901     2.6200     1.4158 
   H  15    1.7732     1.4158     5.3371     1.4158     1.8397     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.0001     1.7321     0.0000 
   C  10    3.0000     2.6457     2.6458     0.0000 
   C  11    1.0000     1.7320     1.7321     4.0000     0.0000 
   H  12    2.2901     2.6200     1.4158     1.8397     3.1408     0.0000 
   H  13    1.4157     0.6200     2.2901     3.1407     1.8396     3.2400 
   H  14    1.4158     2.2901     0.6200     3.1408     1.8397     1.6200 
   H  15    3.3533     2.8292     3.1408     0.6200     4.3433     2.4522 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    3.2380     3.6739     0.0000 



ATOMIC CHARGES
   F   1   -0.2047268611
   O   2   -0.2956055211
   N   3   -0.1908680418
   C   4    0.0494012600
   C   5    0.1347806673
   C   6   -0.0475587115
   C   7    0.0545247650
   C   8   -0.0083825612
   C   9   -0.0435240766
   C  10    0.1529473526
   C  11    0.0992431980
   H  12    0.0625655810
   H  13    0.0659172033
   H  14    0.0630543582
   H  15    0.1082313879


BOND ANGLES
   5    4    6  Car  Car  Car    120.001
   5    4   10  Car  Car   C2    120.001
   6    4   10  Car  Car   C2    119.998
   1    5    4    F  Car  Car    119.999
   1    5    8    F  Car  Car    120.001
   4    5    8  Car  Car  Car    120.001
   4    6    9  Car  Car  Car    119.998
   4    6   12  Car  Car   HC    120.000
   9    6   12  Car  Car   HC    120.002
   8    7    9  Car  Car  Car    120.001
   8    7   11  Car  Car   C1    120.001
   9    7   11  Car  Car   C1    119.998
   5    8    7  Car  Car  Car    120.001
   5    8   13  Car  Car   HC    120.002
   7    8   13  Car  Car   HC    119.998
   6    9    7  Car  Car  Car    119.998
   6    9   14  Car  Car   HC    120.002
   7    9   14  Car  Car   HC    120.000
   2   10    4   O2   C2  Car    119.998
   2   10   15   O2   C2   HC    120.000
   4   10   15  Car   C2   HC    120.002
   3   11    7   N1   C1  Car    179.974


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