Sign In Join Free

Products Information

3-(6-fluoropyridin-3-yl)-5-methylbenzaldehyde
3-(6-fluoropyridin-3-yl)-5-methylbenzaldehyde
ID: BP-11720
Supplier:BroadPharm

Get a quote


SMILES:c1(c2cnc(cc2)F)cc(C=O)cc(c1)C	
FORMULA: C13H10FNO
MASS: 215.2230
EXACT MASS: 215.0746422
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5863     0.0000 
   C   3    1.7995     0.6010     0.0000 
   C   4    0.6010     1.0378     1.1985     0.0000 
   C   5    0.5975     1.7960     2.1600     1.0375     0.0000 
   C   6    0.6000     2.0776     2.1629     1.0398     1.0378     0.0000 
   C   7    1.0398     0.5975     1.0375     0.6000     1.1985     1.5878 
   C   8    1.0375     2.3970     2.7474     1.5869     0.6010     1.1985 
   C   9    1.0378     2.6126     2.7469     1.5863     1.2000     0.5975 
   C  10    1.0375     1.2000     1.0398     0.5975     1.5829     1.1985 
   O  11    2.0750     3.3358     3.7431     2.6131     1.5869     2.1600 
   C  12    1.5829     2.7435     3.1698     2.0750     1.0375     1.7960 
   C  13    1.1985     2.7469     2.9980     1.7995     1.0398     1.0375 
   C  14    1.5869     1.0398     0.6000     1.0375     2.0750     1.7995 
   F  15    2.4006     1.0416     0.6010     1.7995     2.7474     2.7500 
   C  16    1.5826     3.1118     3.1695     2.0740     1.7959     1.0342 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7995     0.0000 
   C   9    2.0776     1.0398     0.0000 
   C  10    1.0378     2.0750     1.7960     0.0000 
   O  11    2.7474     1.0375     1.7995     3.1125     0.0000 
   C  12    2.1600     0.5975     1.5863     2.6090     0.6010     0.0000 
   C  13    2.1629     0.6000     0.6010     2.1600     1.1985     1.0378 
   C  14    1.1985     2.6131     2.3970     0.6010     3.6457     3.1125 
   F  15    1.5869     3.3396     3.3389     1.5890     4.3240     3.7431 
   C  16    2.6109     1.5840     0.5959     2.1571     2.1601     2.0740 

              C  13      C  14      F  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.7474     0.0000 
   F  15    3.5991     1.0398     0.0000 
   C  16    1.0363     2.7442     3.7425     0.0000 



ATOMIC CHARGES
   C   1    0.0012889599
   N   2   -0.2164564073
   C   3    0.2223300122
   C   4    0.0193268949
   C   5    0.0033153607
   C   6   -0.0042048507
   C   7    0.1012406312
   C   8    0.0418996715
   C   9   -0.0217473256
   C  10    0.0054784296
   O  11   -0.2831448238
   C  12    0.2341414047
   C  13   -0.0009692738
   C  14    0.0496794045
   F  15   -0.1832060592
   C  16    0.0310279711


BOND ANGLES
   4    1    5  Car  Car  Car    119.917
   4    1    6  Car  Car  Car    119.944
   5    1    6  Car  Car  Car    120.140
   3    2    7  Car  Nar  Car    119.917
  14    3   15  Car  Car    F    119.944
   2    3   14  Nar  Car  Car    119.944
   2    3   15  Nar  Car    F    120.113
   1    4    7  Car  Car  Car    119.944
   1    4   10  Car  Car  Car    119.917
   7    4   10  Car  Car  Car    120.140
   1    5    8  Car  Car  Car    119.917
   1    6    9  Car  Car  Car    120.140
   2    7    4  Nar  Car  Car    120.140
   5    8   12  Car  Car   C2    119.917
   5    8   13  Car  Car  Car    119.944
  12    8   13   C2  Car  Car    120.140
   6    9   13  Car  Car  Car    119.917
   6    9   16  Car  Car   C3    120.140
  13    9   16  Car  Car   C3    119.944
   4   10   14  Car  Car  Car    119.917
   8   12   11  Car   C2   O2    119.917
   8   13    9  Car  Car  Car    119.944
   3   14   10  Car  Car  Car    119.944


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