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pyrimidine-2-carbaldehyde
pyrimidine-2-carbaldehyde ID: B187255
CAS:27427-92-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ncccn1)C=O	
FORMULA: C5H4N2O
MASS: 108.0981
EXACT MASS: 108.0323628
INTERATOMIC DISTANCES

              C   1      N   2      N   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7426     0.0000 
   N   3    0.7463     1.2958     0.0000 
   O   4    1.3065     1.9822     1.5000     0.0000 
   C   5    0.7500     1.2900     1.2921     0.7546     0.0000 
   C   6    1.4918     1.3035     1.2931     2.7013     2.2417     0.0000 
   C   7    1.2942     1.5008     0.7500     2.2500     1.9780     0.7432 
   C   8    1.2972     0.7583     1.5014     2.6037     1.9831     0.7535 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.3000     0.0000 



ATOMIC CHARGES
   C   1    0.2055258803
   N   2   -0.2222142475
   N   3   -0.2222142475
   O   4   -0.2797170193
   C   5    0.2726960989
   C   6    0.0413665442
   C   7    0.1022784955
   C   8    0.1022784955


BOND ANGLES
   2    1    3  Nar  Car  Nar    120.981
   2    1    5  Nar  Car   C2    119.589
   3    1    5  Nar  Car   C2    119.430
   1    2    8  Car  Nar  Car    119.589
   1    3    7  Car  Nar  Car    119.751
   1    5    4  Car   C2   O2    120.528
   7    6    8  Car  Car  Car    120.579
   3    7    6  Nar  Car  Car    119.981
   2    8    6  Nar  Car  Car    119.120


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