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Products Information

4-anisidine
4-anisidine
ID: BP-12035
CAS:104-94-9
Supplier:BroadPharm

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SMILES:Nc1ccc(cc1)OC	
FORMULA: C7H9NO
MASS: 123.1525
EXACT MASS: 123.0684139
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1650     1.2500     0.0000 
   C   4    3.3072     2.1650     1.2500     0.0000 
   C   5    3.7500     2.5000     2.1650     1.2500     0.0000 
   C   6    3.3072     2.1650     2.4999     2.1650     1.2500     0.0000 
   C   7    2.1650     1.2500     2.1650     2.4999     2.1650     1.2500 
   O   8    5.0000     3.7500     3.3072     2.1650     1.2500     2.1650 
   C   9    5.7282     4.5069     4.3301     3.3071     2.1650     2.5000 

              C   7      O   8      C   9
              ---------------------------------
   C   7    0.0000 
   O   8    3.3072     0.0000 
   C   9    3.7500     1.2500     0.0000 



ATOMIC CHARGES
   N   1   -0.1280546494
   C   2    0.0892922994
   C   3    0.0211675574
   C   4    0.0382833223
   C   5    0.1388198467
   C   6    0.0382833223
   C   7    0.0211675574
   O   8   -0.4714258335
   C   9    0.2524665774


BOND ANGLES
   1    2    3  Npl  Car  Car    120.001
   1    2    7  Npl  Car  Car    120.001
   3    2    7  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    120.001
   3    4    5  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car   O3    120.001
   6    5    8  Car  Car   O3    120.001
   5    6    7  Car  Car  Car    120.001
   2    7    6  Car  Car  Car    120.001
   5    8    9  Car   O3   C3    120.001


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