Sign In Join Free

Products Information

2-Chloro-5-fluoro-3-iodopyridine
2-Chloro-5-fluoro-3-iodopyridine ID: B184547
CAS:no cas
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:n1c(c(cc(c1)F)I)Cl	
FORMULA: C5H2ClFIN
MASS: 257.4320
EXACT MASS: 256.8904530
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   C   3    1.2864     0.7375     0.0000 
   C   4    1.4875     1.2864     0.7468     0.0000 
   C   5    1.2843     1.4838     1.2875     0.7432     0.0000 
   C   6    0.7432     1.2875     1.4838     1.2843     0.7375     0.0000 
  Cl   7    1.2875     0.7432     1.2843     1.9673     2.2270     1.9653 
   I   8    1.9673     1.2843     0.7432     1.2875     1.9653     2.2270 
   F   9    1.9610     2.2264     1.9678     1.2875     0.7426     1.2792 

             Cl   7      I   8      F   9
              ---------------------------------
  Cl   7    0.0000 
   I   8    1.4875     0.0000 
   F   9    2.9696     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2296471686
   C   2    0.1437754450
   C   3    0.0607462066
   C   4    0.0394067856
   C   5    0.1596994948
   C   6    0.1293902578
  Cl   7   -0.0608818778
   I   8   -0.0399761786
   F   9   -0.2025129648


BOND ANGLES
   2    1    6  Car  Nar  Car    119.556
   1    2    3  Nar  Car  Car    120.143
   1    2    7  Nar  Car   Cl    119.556
   3    2    7  Car  Car   Cl    120.301
   2    3    8  Car  Car    I    120.301
   2    3    4  Car  Car  Car    120.143
   4    3    8  Car  Car    I    119.556
   3    4    5  Car  Car  Car    119.556
   4    5    6  Car  Car  Car    120.301
   4    5    9  Car  Car    F    120.110
   6    5    9  Car  Car    F    119.589
   1    6    5  Nar  Car  Car    120.301


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