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3-Chloro-4-hydroxybenzaldehyde
3-Chloro-4-hydroxybenzaldehyde ID: API-45700
CAS:2420-16-8
Supplier:APIchem

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SMILES:Clc1cc(ccc1O)C=O	ChemMol.com
FORMULA: C7H5ClO2
MASS: 156.5664
EXACT MASS: 155.9978071
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    4.3589     4.5826     0.0000 
   C   4    2.6457     3.0000     1.7321     0.0000 
   C   5    1.7320     2.6457     2.6458     1.0000     0.0000 
   C   6    3.0000     2.6458     2.0000     1.0001     1.7321     0.0000 
   C   7    1.7320     1.0000     3.6056     2.0000     1.7320     1.7321 
   C   8    1.0000     1.7320     3.4641     1.7320     1.0000     2.0000 
   C   9    2.6458     1.7321     3.0000     1.7321     2.0000     1.0000 
   C  10    3.4641     4.0000     1.0001     1.0000     1.7320     1.7321 
   H  11    1.8397     3.1407     2.8292     1.4157     0.6200     2.2901 
   H  12    3.6200     3.1408     1.7732     1.4158     2.2901     0.6200 
   H  13    3.1408     1.8397     3.3533     2.2901     2.6200     1.4158 
   H  14    3.5191     4.3433     1.4158     1.4158     1.8397     2.2901 
   H  15    2.6200     0.6201     4.8212     3.3533     3.1408     2.8292 

              C   7      C   8      C   9      C  10      H  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 
   H  11    2.2900     1.4158     2.6200     1.8396     0.0000 
   H  12    2.2901     2.6200     1.4158     1.8397     2.8059     0.0000 
   H  13    1.4158     2.2901     0.6200     3.1408     3.2400     1.6200 
   H  14    3.3533     2.8292     3.1408     0.6200     1.7320     2.4522 
   H  15    1.4158     2.2901     1.8397     4.3433     3.6739     3.2380 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.6739     0.0000 
   H  15    1.7320     4.7432     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0797443947
   O   2   -0.5053060108
   O   3   -0.2956993682
   C   4    0.0157841578
   C   5   -0.0296275260
   C   6   -0.0480026229
   C   7    0.1351285885
   C   8    0.0829308491
   C   9   -0.0180694563
   C  10    0.1502452145
   H  11    0.0640093791
   H  12    0.0625547158
   H  13    0.0654593324
   H  14    0.1081384751
   H  15    0.2921986665


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


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