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Products Information

4-iodobenzamide
4-iodobenzamide
ID: BP-11757
CAS:3956-07-8
Supplier:BroadPharm

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SMILES:C(=O)(c1ccc(cc1)I)N	
FORMULA: C7H6INO
MASS: 247.0331
EXACT MASS: 246.9494118
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   O   3    0.5954     1.0341     0.0000 
   C   4    1.0378     0.5975     1.1958     0.0000 
   C   5    1.0398     0.6010     1.5831     1.0375     0.0000 
   N   6    0.5989     1.0362     1.0375     1.5831     1.1958     0.0000 
   C   7    1.8000     1.2000     2.1586     1.0378     1.0398     2.1595 
   C   8    1.5865     1.0378     1.7958     0.6000     1.1985     2.0740 
   C   9    1.5878     1.0398     2.0740     1.1985     0.6000     1.7958 
   I  10    2.4000     1.8000     2.7449     1.5865     1.5878     2.7456 

              C   7      C   8      C   9      I  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.5975     0.0000 
   C   9    0.6010     1.0375     0.0000 
   I  10    0.6000     1.0378     1.0398     0.0000 



ATOMIC CHARGES
   C   1    0.2841687516
   C   2    0.0566856460
   O   3   -0.2666667510
   C   4    0.0050529412
   C   5    0.0050529412
   N   6   -0.0836950587
   C   7    0.0300668511
   C   8    0.0059288778
   C   9    0.0059288778
   I  10   -0.0425230771


BOND ANGLES
   2    1    3  Car   C2   O2    119.790
   2    1    6  Car   C2  Nam    119.595
   3    1    6   O2   C2  Nam    120.614
   1    2    4   C2  Car  Car    120.140
   1    2    5   C2  Car  Car    119.944
   4    2    5  Car  Car  Car    119.917
   2    4    8  Car  Car  Car    120.140
   2    5    9  Car  Car  Car    119.944
   9    7   10  Car  Car    I    119.944
   8    7    9  Car  Car  Car    119.917
   8    7   10  Car  Car    I    120.140
   4    8    7  Car  Car  Car    120.140
   5    9    7  Car  Car  Car    119.944


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    2    1    3    179.974
   5    2    1    6      0.026
   8    4    2    1    179.974
   8    4    2    5      0.026
   9    5    2    1    179.974
   9    5    2    4      0.026
  10    7    9    5    179.974
   8    7    9    5      0.026
   7    8    4    2      0.026
   7    9    5    2      0.026
   4    8    7    9      0.026
   4    8    7   10    179.974