Sign In Join Free

Products Information

2-Chloro-6-methoxybenzamide
2-Chloro-6-methoxybenzamide ID: API-28640
CAS:107485-43-8
Supplier:APIchem

Get a quote


SMILES:Clc1c(c(OC)ccc1)C(=O)N	ChemMol.com
FORMULA: C8H8ClNO2
MASS: 185.6076
EXACT MASS: 185.0243562
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    3.0000     1.7320     0.0000 
   N   4    1.7320     3.0000     1.7321     0.0000 
   C   5    1.7320     1.7321     1.7321     1.7320     0.0000 
   C   6    2.6458     1.0000     2.0000     2.6458     1.0001     0.0000 
   C   7    1.0000     2.6458     2.6458     2.0000     1.0000     1.7321 
   C   8    3.0000     1.7320     3.0000     3.4641     1.7321     1.0000 
   C   9    1.7320     3.0000     3.4641     3.0000     1.7320     2.0000 
   C  10    2.6457     2.6458     3.6056     3.6055     2.0000     1.7321 
   C  11    2.0000     2.0000     1.0001     1.0000     1.0000     1.7321 
   C  12    4.3589     1.0000     2.6457     4.0000     2.6458     1.7320 
   H  13    3.6200     1.8397     3.3533     4.0130     2.2901     1.4158 
   H  14    1.8397     3.6200     4.0130     3.3533     2.2900     2.6200 
   H  15    3.1407     3.1408     4.2101     4.2100     2.6200     2.2901 
   H  16    4.6402     1.1766     2.5121     4.0478     2.9083     2.1114 
   H  17    4.9339     1.6199     3.2379     4.6200     3.2380     2.2900 
   H  18    4.1517     1.1766     2.9083     4.0477     2.5121     1.5200 
   H  19    2.2901     3.3533     1.8397     0.6200     2.2901     3.1408 
   H  20    1.2347     3.3533     2.2901     0.6200     1.8396     2.8292 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7320     1.0001     1.0000     0.0000 
   C  11    1.7320     2.6458     2.6457     3.0000     0.0000 
   C  12    3.4641     2.0000     3.6055     3.0000     3.0000     0.0000 
   H  13    2.6200     0.6200     2.2901     1.4158     3.1408     1.7732 
   H  14    1.4158     2.2901     0.6200     1.4157     3.1407     4.2100 
   H  15    2.2901     1.4158     1.4158     0.6200     3.6200     3.3533 
   H  16    3.8121     2.5557     4.0750     3.5505     3.0634     0.6200 
   H  17    4.0130     2.3715     4.0601     3.3533     3.6200     0.6200 
   H  18    3.1995     1.4955     3.1879     2.4825     3.0634     0.6200 
   H  19    2.6200     4.0131     3.6200     4.2100     1.4158     4.3433 
   H  20    1.7732     3.5192     2.7431     3.4849     1.4157     4.3433 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    1.6200     1.6199     0.0000 
   H  16    2.3825     4.6900     3.9391     0.0000 
   H  17    2.0000     4.6468     3.6200     0.8768     0.0000 
   H  18    1.1752     3.7711     2.7824     1.2399     0.8768     0.0000 
   H  19    4.5380     3.9665     4.8185     4.3108     4.9591     4.4626 
   H  20    4.1077     3.0000     4.0601     4.4626     4.9591     4.3107 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0826429635
   O   2   -0.4943051977
   O   3   -0.2702394516
   N   4   -0.3252060152
   C   5    0.0962513073
   C   6    0.1335900084
   C   7    0.0565962858
   C   8   -0.0191065795
   C   9   -0.0424204203
   C  10   -0.0568860269
   C  11    0.2464880319
   C  12    0.0788178912
   H  13    0.0654224182
   H  14    0.0632299377
   H  15    0.0619145053
   H  16    0.0659935245
   H  17    0.0659935245
   H  18    0.0659935245
   H  19    0.1452578477
   H  20    0.1452578477


BOND ANGLES
   6    2   12  Car   O3   C3    119.999
  11    4   19   C2  Nam   HC    120.001
  11    4   20   C2  Nam   HC    119.998
  19    4   20   HC  Nam   HC    120.002
   6    5    7  Car  Car  Car    120.001
   6    5   11  Car  Car   C2    119.998
   7    5   11  Car  Car   C2    120.001
   2    6    5   O3  Car  Car    120.001
   2    6    8   O3  Car  Car    120.001
   5    6    8  Car  Car  Car    119.998
   1    7    5   Cl  Car  Car    119.999
   1    7    9   Cl  Car  Car    120.001
   5    7    9  Car  Car  Car    120.001
   6    8   10  Car  Car  Car    119.998
   6    8   13  Car  Car   HC    120.002
  10    8   13  Car  Car   HC    120.000
   7    9   10  Car  Car  Car    120.001
   7    9   14  Car  Car   HC    120.002
  10    9   14  Car  Car   HC    119.998
   8   10    9  Car  Car  Car    120.001
   8   10   15  Car  Car   HC    119.998
   9   10   15  Car  Car   HC    120.001
   3   11    4   O2   C2  Nam    120.001
   3   11    5   O2   C2  Car    119.998
   4   11    5  Nam   C2  Car    120.001
   2   12   16   O3   C3   HC     90.001
   2   12   17   O3   C3   HC    179.974
   2   12   18   O3   C3   HC     89.999
  16   12   17   HC   C3   HC     90.000
  16   12   18   HC   C3   HC    179.974
  17   12   18   HC   C3   HC     90.000


TORSION ANGLES
  12    2    6    5    179.974
  12    2    6    8      0.026
   6    2   12   16    179.974
   6    2   12   17      0.026
   6    2   12   18      0.026
  19    4   11    3      0.026
  19    4   11    5    179.974
  20    4   11    3    179.974
  20    4   11    5      0.026
   7    5    6    2    179.974
   7    5    6    8      0.026
  11    5    6    2      0.026
  11    5    6    8    179.974
   6    5    7    1    179.974
   6    5    7    9      0.026
  11    5    7    1      0.026
  11    5    7    9    179.974
   6    5   11    3      0.026
   6    5   11    4    179.974
   7    5   11    3    179.974
   7    5   11    4      0.026
   2    6    8   10    179.974
   2    6    8   13      0.026
   5    6    8   10      0.026
   5    6    8   13    179.974
   1    7    9   10    179.974
   1    7    9   14      0.026
   5    7    9   10      0.026
   5    7    9   14    179.974
   6    8   10    9      0.026
   6    8   10   15    179.974
  13    8   10    9    179.974
  13    8   10   15      0.026
   7    9   10    8      0.026
   7    9   10   15    179.974
  14    9   10    8    179.974
  14    9   10   15      0.026