Sign In Join Free

Products Information

4-Fluoro-3-hydroxybenzaldehyde
4-Fluoro-3-hydroxybenzaldehyde ID: API-28950
CAS:103438-85-3
Supplier:APIchem

Get a quote


SMILES:Fc1c(O)cc(cc1)C=O	ChemMol.com
FORMULA: C7H5FO2
MASS: 140.1118
EXACT MASS: 140.0273576
INTERATOMIC DISTANCES

              F   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    4.5826     4.3589     0.0000 
   C   4    3.0000     2.6458     1.7320     0.0000 
   C   5    2.6457     1.7321     2.6457     1.0000     0.0000 
   C   6    1.7320     1.0001     3.4641     1.7320     1.0000     0.0000 
   C   7    2.6457     3.0000     2.0000     1.0000     1.7320     2.0000 
   C   8    1.0000     1.7321     3.6055     2.0000     1.7320     1.0000 
   C   9    1.7320     2.6458     3.0000     1.7320     2.0000     1.7320 
   C  10    4.0000     3.4641     1.0000     1.0000     1.7320     2.6457 
   H  11    3.1408     1.8397     2.8292     1.4158     0.6201     1.4158 
   H  12    3.1408     3.6201     1.7733     1.4158     2.2901     2.6200 
   H  13    1.8397     3.1409     3.3533     2.2901     2.6200     2.2901 
   H  14    4.3433     3.5191     1.4158     1.4158     1.8397     2.8292 
   H  15    2.6200     0.6200     4.4726     2.8292     1.8397     1.4158 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   C  10    1.7320     3.0000     2.6457     0.0000 
   H  11    2.2901     2.2901     2.6200     1.8397     0.0000 
   H  12    0.6201     2.2901     1.4158     1.8397     2.8060     0.0000 
   H  13    1.4158     1.4158     0.6201     3.1408     3.2401     1.6200 
   H  14    2.2901     3.3533     3.1408     0.6201     1.7320     2.4523 
   H  15    3.3533     2.2901     3.1408     3.5192     1.7320     3.9666 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.6740     0.0000 
   H  15    3.6740     3.4641     0.0000 



ATOMIC CHARGES
   F   1   -0.2016622577
   O   2   -0.5038720519
   O   3   -0.2956984080
   C   4    0.0178015650
   C   5   -0.0071117183
   C   6    0.1525356343
   C   7   -0.0485950670
   C   8    0.1645881273
   C   9   -0.0221615965
   C  10    0.1503148052
   H  11    0.0661763698
   H  12    0.0625296759
   H  13    0.0647504136
   H  14    0.1081394192
   H  15    0.2922650890


BOND ANGLES
   6    2   15  Car   O3   HO    120.000
   5    4    7  Car  Car  Car    119.999
   5    4   10  Car  Car   C2    120.001
   7    4   10  Car  Car   C2    120.001
   4    5    6  Car  Car  Car    120.001
   4    5   11  Car  Car   HC    120.002
   6    5   11  Car  Car   HC    119.997
   2    6    5   O3  Car  Car    119.998
   2    6    8   O3  Car  Car    120.001
   5    6    8  Car  Car  Car    120.001
   4    7    9  Car  Car  Car    120.001
   4    7   12  Car  Car   HC    120.002
   9    7   12  Car  Car   HC    119.997
   1    8    6    F  Car  Car    120.001
   1    8    9    F  Car  Car    120.001
   6    8    9  Car  Car  Car    119.999
   7    9    8  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    119.997
   8    9   13  Car  Car   HC    120.002
   3   10    4   O2   C2  Car    120.001
   3   10   14   O2   C2   HC    120.002
   4   10   14  Car   C2   HC    119.997


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