Sign In Join Free

Products Information

bromo(nitro)methane
bromo(nitro)methane ID: AN-45948
CAS:563-70-2
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:BrC[N+](=O)[O-]	68423
FORMULA: CH2BrNO2
MASS: 139.9361
EXACT MASS: 138.9268903
INTERATOMIC DISTANCES

             Br   1      O   2      O   3      N   4      C   5      H   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   O   2    2.6458     0.0000 
   O   3    2.0000     1.7320     0.0000 
   N   4    1.7321     1.0000     1.0000     0.0000 
   C   5    1.0001     1.7320     1.7320     1.0000     0.0000 
   H   6    1.0813     2.1829     2.3452     1.5968     0.6201     0.0000 
   H   7    1.5968     1.4156     2.0296     1.0813     0.6200     0.7971 

              H   7
              -----------
   H   7    0.0000 



ATOMIC CHARGES
  Br   1   -0.0075032495
   O   2   -0.5810450947
   O   3    0.0352749388
   N   4    0.0493591066
   C   5    0.2604822715
   H   6    0.1217160137
   H   7    0.1217160137


BOND ANGLES
   2    4    3   O-  Ntr   O2    120.001
   2    4    5   O-  Ntr   C3    119.999
   3    4    5   O2  Ntr   C3    120.001
   1    5    4   Br   C3  Ntr    120.001
   1    5    6   Br   C3   HC     79.996
   1    5    7   Br   C3   HC    159.993
   4    5    6  Ntr   C3   HC    160.003
   4    5    7  Ntr   C3   HC     80.006
   6    5    7   HC   C3   HC     79.997


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