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4-BROMO-1H-PYRAZOLE
4-BROMO-1H-PYRAZOLE ID: CHH11012
CAS:2075-45-8
Supplier:ChemiK Co.,Ltd.

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SMILES:[nH]1ncc(c1)Br	
FORMULA: C3H3BrN2
MASS: 146.9733
EXACT MASS: 145.9479601
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.8937     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8938     0.0000 
   C   5    0.8937     1.4461     1.4461     0.8937     0.0000 
  Br   6    2.3127     2.3127     1.5927     0.8938     1.5927     0.0000 




ATOMIC CHARGES
   N   1   -0.1457678599
   N   2   -0.1457678599
   C   3    0.1303969721
   C   4    0.0763800198
   C   5    0.1303969721
  Br   6   -0.0456382441


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.001
   1    2    3  Nar  Nar  Car    108.001
   2    3    4  Nar  Car  Car    107.996
   3    4    5  Car  Car  Car    108.003
   3    4    6  Car  Car   Br    125.997
   5    4    6  Car  Car   Br    126.001
   1    5    4  Nar  Car  Car    107.999


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