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2-chloro-4-hydroxy-benzoic acid
2-chloro-4-hydroxy-benzoic acid ID: AN-13863
CAS:56363-84-9
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1c(ccc(O)c1)C(=O)O	91821
FORMULA: C7H5ClO3
MASS: 172.5658
EXACT MASS: 171.9927217
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    3.0000     4.5826     0.0000 
   O   4    1.7320     4.5826     1.7321     0.0000 
   C   5    1.7320     3.0000     1.7321     1.7320     0.0000 
   C   6    1.0000     2.6457     2.6458     2.0000     1.0000     0.0000 
   C   7    2.6458     2.6458     2.0000     2.6458     1.0001     1.7321 
   C   8    2.6457     1.0000     3.6056     3.6055     2.0000     1.7320 
   C   9    1.7320     1.7320     3.4641     3.0000     1.7320     1.0000 
   C  10    3.0000     1.7321     3.0000     3.4641     1.7321     2.0000 
   C  11    2.0000     4.0000     1.0001     1.0000     1.0000     1.7320 
   H  12    3.1408     3.1408     1.7732     2.8292     1.4158     2.2901 
   H  13    1.8397     1.8396     4.0130     3.3533     2.2900     1.4158 
   H  14    3.6200     1.8397     3.3533     4.0130     2.2901     2.6200 
   H  15    4.0130     0.6201     4.8212     5.0104     3.3533     3.1408 
   H  16    3.3533     5.1927     0.6200     1.8397     2.2901     3.1408 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    2.0000     1.0000     0.0000 
   C  10    1.0000     1.0001     1.7321     0.0000 
   C  11    1.7321     3.0000     2.6457     2.6458     0.0000 
   H  12    0.6200     2.2901     2.6200     1.4158     1.8397     0.0000 
   H  13    2.6200     1.4157     0.6200     2.2901     3.1407     3.2400 
   H  14    1.4158     1.4158     2.2901     0.6200     3.1408     1.6200 
   H  15    2.8292     1.4158     2.2901     1.8397     4.3433     3.2380 
   H  16    2.6200     4.2101     4.0131     3.6200     1.4158     2.3716 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    2.4522     1.7320     0.0000 
   H  16    4.5380     3.9665     5.4400     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0825821407
   O   2   -0.5067226332
   O   3   -0.4770928336
   O   4   -0.2450797770
   C   5    0.0773067609
   C   6    0.0583698516
   C   7   -0.0429059514
   C   8    0.1182880768
   C   9   -0.0010503475
   C  10   -0.0193145408
   C  11    0.3382261800
   H  12    0.0627216024
   H  13    0.0668791431
   H  14    0.0654154557
   H  15    0.2921324409
   H  16    0.2954087128


BOND ANGLES
   8    2   15  Car   O3   HO    119.997
  11    3   16   C2   O3   HO    119.998
   6    5    7  Car  Car  Car    120.001
   6    5   11  Car  Car   C2    120.001
   7    5   11  Car  Car   C2    119.998
   1    6    5   Cl  Car  Car    119.999
   1    6    9   Cl  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   5    7   10  Car  Car  Car    119.998
   5    7   12  Car  Car   HC    120.000
  10    7   12  Car  Car   HC    120.002
   2    8    9   O3  Car  Car    120.001
   2    8   10   O3  Car  Car    119.998
   9    8   10  Car  Car  Car    120.001
   6    9    8  Car  Car  Car    120.001
   6    9   13  Car  Car   HC    120.002
   8    9   13  Car  Car   HC    119.998
   7   10    8  Car  Car  Car    119.998
   7   10   14  Car  Car   HC    120.002
   8   10   14  Car  Car   HC    120.000
   3   11    4   O3   C2   O2    120.001
   3   11    5   O3   C2  Car    119.998
   4   11    5   O2   C2  Car    120.001


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