Sign In Join Free

Products Information

5-chloropyrimidine-2-carbonitrile
5-chloropyrimidine-2-carbonitrile ID: B187229
CAS:38275-56-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(ncc(cn1)Cl)C#N	
FORMULA: C5H2ClN3
MASS: 139.5425
EXACT MASS: 138.9937248
INTERATOMIC DISTANCES

              C   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2864     0.0000 
   N   3    0.7391     1.9610     0.0000 
   N   4    0.7426     1.4792     1.2875     0.0000 
   C   5    0.7375     0.7468     1.2771     1.2792     0.0000 
   C   6    1.4875     2.6790     1.2915     1.2935     2.2250     0.0000 
   C   7    1.2843     2.5707     0.7458     1.4879     1.9581     0.7432 
   C   8    1.2864     2.2250     1.4879     0.7458     1.9595     0.7468 
  Cl   9    2.2250     3.3978     1.9687     1.9646     2.9625     0.7375 

              C   7      C   8     Cl   9
              ---------------------------------
   C   7    0.0000 
   C   8    1.2875     0.0000 
  Cl   9    1.2885     1.2822     0.0000 



ATOMIC CHARGES
   C   1    0.2331824747
   N   2   -0.1876249379
   N   3   -0.2153853155
   N   4   -0.2153853155
   C   5    0.1399432966
   C   6    0.0959698150
   C   7    0.1141461714
   C   8    0.1141461714
  Cl   9   -0.0789923602


BOND ANGLES
   3    1    4  Nar  Car  Nar    120.665
   3    1    5  Nar  Car   C1    119.746
   4    1    5  Nar  Car   C1    119.589
   1    3    7  Car  Nar  Car    119.746
   1    4    8  Car  Nar  Car    119.589
   1    5    2  Car   C1   N1    120.143
   8    6    9  Car  Car   Cl    119.498
   7    6    8  Car  Car  Car    119.556
   7    6    9  Car  Car   Cl    120.946
   3    7    6  Nar  Car  Car    120.301
   4    8    6  Nar  Car  Car    120.143


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