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3-(benzyloxy)-5-bromopyridine
3-(benzyloxy)-5-bromopyridine
ID: BP-11929
CAS:130722-95-1
Supplier:BroadPharm

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SMILES:n1cc(cc(Br)c1)OCc1ccccc1	
FORMULA: C12H10BrNO
MASS: 264.1179
EXACT MASS: 262.9945759
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.1986     0.0000 
   O   3    1.5868     1.0390     0.0000 
   C   4    1.0370     0.6010     0.6005     0.0000 
   C   5    1.0401     0.5993     1.5873     1.0400     0.0000 
   C   6    1.7991     1.5877     0.6010     1.0390     2.0790     0.0000 
  Br   7    1.5840     1.0350     2.0739     1.5840     0.5952     2.6114 
   C   8    2.3984     2.0791     1.0401     1.5874     2.6158     0.5993 
   C   9    0.5994     1.0400     1.0400     0.5993     1.2021     1.1997 
   C  10    0.6010     1.0370     1.7991     1.1986     0.5994     2.1629 
   C  11    2.9832     2.5403     1.5253     2.1125     3.1094     1.1900 
   C  12    2.3168     2.3082     1.3292     1.7363     2.7681     0.7310 
   C  13    3.4112     3.0930     2.0596     2.6233     3.6452     1.6240 
   C  14    2.8512     2.9092     1.9227     2.3351     3.3628     1.3290 
   C  15    3.3543     3.2514     2.2197     2.7160     3.7560     1.6771 

             Br   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Br   7    0.0000 
   C   8    3.1140     0.0000 
   C   9    1.7973     1.7991     0.0000 
   C  10    1.0350     2.7487     1.0401     0.0000 
   C  11    3.5650     0.6010     2.3849     3.3000     0.0000 
   C  12    3.3200     0.6000     1.7426     2.7713     1.0398     0.0000 
   C  13    4.1251     1.0375     2.8140     3.7843     0.5975     1.1985 
   C  14    3.9191     1.0398     2.2995     3.3376     1.2000     0.6010 
   C  15    4.2826     1.1985     2.7782     3.8008     1.0378     1.0375 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.0378     0.0000 
   C  15    0.6000     0.5975     0.0000 



ATOMIC CHARGES
   N   1   -0.2386251038
   C   2    0.0467770159
   O   3   -0.4690536314
   C   4    0.1586302966
   C   5    0.0567299156
   C   6    0.2320600318
  Br   7   -0.0472792382
   C   8    0.0211618737
   C   9    0.1356730997
   C  10    0.1057370827
   C  11   -0.0006896207
   C  12   -0.0006896207
   C  13   -0.0002074836
   C  14   -0.0002074836
   C  15   -0.0000171340


BOND ANGLES
   9    1   10  Car  Nar  Car    120.092
   4    2    5  Car  Car  Car    120.099
   4    3    6  Car   O3   C3    119.705
   3    4    9   O3  Car  Car    120.197
   2    4    3  Car  Car   O3    119.705
   2    4    9  Car  Car  Car    120.099
   2    5   10  Car  Car  Car    119.809
   2    5    7  Car  Car   Br    120.106
   7    5   10   Br  Car  Car    120.085
   3    6    8   O3   C3  Car    120.101
   6    8   11   C3  Car  Car    164.955
   6    8   12   C3  Car  Car     75.101
  11    8   12  Car  Car  Car    119.944
   1    9    4  Nar  Car  Car    119.809
   1   10    5  Nar  Car  Car    120.092
   8   11   13  Car  Car  Car    119.917
   8   12   14  Car  Car  Car    119.944
  11   13   15  Car  Car  Car    120.140
  12   14   15  Car  Car  Car    119.917
  13   15   14  Car  Car  Car    120.140


TORSION ANGLES
   4    2    5   10      0.026
   4    2    5    7    179.974
   6    3    4    9      0.026
   6    3    4    2    179.974
   3    4    9    1    179.974
   2    4    9    1      0.026
   2    5   10    1      0.026
   7    5   10    1    179.974
   8    6    3    4    179.974
  11    8    6    3      0.026
  12    8    6    3    179.974
   4    9    1   10      0.026
   5   10    1    9      0.026
  13   11    8    6    179.974
  13   11    8   12      0.026
  14   12    8    6    179.974
  14   12    8   11      0.026
  15   13   11    8      0.026
  15   14   12    8      0.026
  14   15   13   11      0.026
   3    4    2    5    179.974
   9    4    2    5      0.026
  12   14   15   13      0.026