Sign In Join Free

Products Information

2,7-dibromo-9H-fluorene
2,7-dibromo-9H-fluorene ID: AN-11549
CAS:16433-88-8
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:Brc1cc2Cc3c(c2cc1)ccc(Br)c3	140073
FORMULA: C13H8Br2
MASS: 324.0106
EXACT MASS: 321.8992743
INTERATOMIC DISTANCES

             Br   1     Br   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    7.0094     0.0000 
   C   3    3.6216     3.6216     0.0000 
   C   4    2.7152     4.3259     1.0000     0.0000 
   C   5    4.3259     2.7152     1.0000     1.6180     0.0000 
   C   6    4.0534     3.0693     1.6181     1.6180     1.0000     0.0000 
   C   7    3.0693     4.0534     1.6181     1.0000     1.6180     1.0000 
   C   8    5.3581     1.7702     1.8587     2.6436     1.0416     1.7761 
   C   9    1.7702     5.3581     1.8587     1.0416     2.6436     2.6083 
   C  10    4.8974     2.7151     2.6083     2.6437     1.7761     1.0416 
   C  11    2.7151     4.8974     2.6083     1.7761     2.6437     1.8588 
   C  12    0.9999     6.0358     2.7661     1.8002     3.3792     3.0557 
   C  13    6.0358     0.9999     2.7661     3.3792     1.8002     2.0694 
   C  14    5.8354     1.7702     3.0557     3.3792     2.0694     1.8001 
   C  15    1.7702     5.8354     3.0557     2.0694     3.3792     2.7661 
   H  16    3.3812     4.1532     0.6200     1.1201     1.6116     2.1990 
   H  17    4.1532     3.3812     0.6200     1.6116     1.1201     2.0014 
   H  18    1.8859     5.6323     2.0230     1.4559     2.9362     3.0737 
   H  19    5.6323     1.8859     2.0230     2.9362     1.4559     2.3300 
   H  20    3.2147     4.9158     3.0736     2.3300     2.9362     2.0230 
   H  21    4.9158     3.2147     3.0736     2.9362     2.3300     1.4558 
   H  22    1.8858     6.3455     3.6741     2.6893     3.9631     3.2869 
   H  23    6.3455     1.8858     3.6741     3.9631     2.6893     2.3594 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6083     0.0000 
   C   9    1.7761     3.6488     0.0000 
   C  10    1.8588     2.0694     3.5958     0.0000 
   C  11    1.0416     3.5958     2.0694     2.3700     0.0000 
   C  12    2.0694     4.4192     1.0417     3.9013     1.8002     0.0000 
   C  13    3.0557     1.0417     4.4192     1.8002     3.9013     5.0548 
   C  14    2.7661     1.8002     4.3972     1.0416     3.3969     4.8355 
   C  15    1.8001     4.3972     1.8002     3.3969     1.0416     1.0417 
   H  16    2.0014     2.3834     1.6288     3.2112     2.8888     2.6409 
   H  17    2.1990     1.6288     2.3834     2.8888     3.2112     3.3420 
   H  18    2.3300     3.8790     0.6200     4.0934     2.6893     1.4558 
   H  19    3.0737     0.6200     3.8790     2.6893     4.0934     4.7362 
   H  20    1.4558     3.7990     2.6893     2.2496     0.6200     2.3594 
   H  21    2.0230     2.6893     3.7990     0.6200     2.2496     3.9422 
   H  22    2.3594     4.9675     2.3594     3.8120     1.4559     1.4559 
   H  23    3.2869     2.3594     4.9675     1.4559     3.8120     5.3472 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0417     0.0000 
   C  15    4.8355     4.4110     0.0000 
   H  16    3.3420     3.6743     3.1369     0.0000 
   H  17    2.6409     3.1369     3.6743     0.8298     0.0000 
   H  18    4.7362     4.8262     2.3594     1.6100     2.4345     0.0000 
   H  19    1.4558     2.3594     4.8262     2.4345     1.6100     4.0184 
   H  20    3.9422     3.2899     1.4558     3.4198     3.6514     3.3093 
   H  21    2.3594     1.4558     3.2899     3.6514     3.4198     4.3451 
   H  22    5.3472     4.8462     0.6200     3.7530     4.2931     2.8787 
   H  23    1.4559     0.6200     4.8462     4.2931     3.7530     5.4159 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    4.3451     0.0000 
   H  21    3.3093     1.9732     0.0000 
   H  22    5.4159     1.6658     3.6206     0.0000 
   H  23    2.8787     3.6206     1.6658     5.2372     0.0000 



ATOMIC CHARGES
  Br   1   -0.0502819813
  Br   2   -0.0502819813
   C   3   -0.0011966369
   C   4   -0.0342918303
   C   5   -0.0342918303
   C   6   -0.0140597582
   C   7   -0.0140597582
   C   8   -0.0436848558
   C   9   -0.0436848558
   C  10   -0.0527087418
   C  11   -0.0527087418
   C  12    0.0181827702
   C  13    0.0181827702
   C  14   -0.0471671499
   C  15   -0.0471671499
   H  16    0.0361790727
   H  17    0.0361790727
   H  18    0.0631544522
   H  19    0.0631544522
   H  20    0.0624030688
   H  21    0.0624030688
   H  22    0.0628732719
   H  23    0.0628732719


BOND ANGLES
   4    3    5  Car   C3  Car    107.997
   4    3   16  Car   C3   HC     83.995
   4    3   17  Car   C3   HC    168.007
   5    3   16  Car   C3   HC    168.007
   5    3   17  Car   C3   HC     83.995
  16    3   17   HC   C3   HC     84.012
   3    4    7   C3  Car  Car    108.003
   3    4    9   C3  Car  Car    131.113
   7    4    9  Car  Car  Car    120.884
   3    5    6   C3  Car  Car    108.003
   3    5    8   C3  Car  Car    131.113
   6    5    8  Car  Car  Car    120.884
   5    6    7  Car  Car  Car    107.998
   5    6   10  Car  Car  Car    120.883
   7    6   10  Car  Car  Car    131.119
   4    7    6  Car  Car  Car    107.998
   4    7   11  Car  Car  Car    120.883
   6    7   11  Car  Car  Car    131.119
   5    8   13  Car  Car  Car    119.558
   5    8   19  Car  Car   HC    120.228
  13    8   19  Car  Car   HC    120.214
   4    9   12  Car  Car  Car    119.558
   4    9   18  Car  Car   HC    120.228
  12    9   18  Car  Car   HC    120.214
   6   10   14  Car  Car  Car    119.561
   6   10   21  Car  Car   HC    120.218
  14   10   21  Car  Car   HC    120.221
   7   11   15  Car  Car  Car    119.561
   7   11   20  Car  Car   HC    120.218
  15   11   20  Car  Car   HC    120.221
   1   12    9   Br  Car  Car    120.227
   1   12   15   Br  Car  Car    120.217
   9   12   15  Car  Car  Car    119.556
   2   13    8   Br  Car  Car    120.227
   2   13   14   Br  Car  Car    120.217
   8   13   14  Car  Car  Car    119.556
  10   14   13  Car  Car  Car    119.558
  10   14   23  Car  Car   HC    120.225
  13   14   23  Car  Car   HC    120.217
  11   15   12  Car  Car  Car    119.558
  11   15   22  Car  Car   HC    120.225
  12   15   22  Car  Car   HC    120.217


TORSION ANGLES
   5    3    4    7      0.026
   5    3    4    9    179.974
  16    3    4    7    179.974
  16    3    4    9      0.026
  17    3    4    7    179.974
  17    3    4    9      0.026
   4    3    5    6      0.026
   4    3    5    8    179.974
  16    3    5    6    179.974
  16    3    5    8      0.026
  17    3    5    6    179.974
  17    3    5    8      0.026
   3    4    7    6      0.026
   3    4    7   11    179.974
   9    4    7    6    179.974
   9    4    7   11      0.026
   3    4    9   12    179.974
   3    4    9   18      0.026
   7    4    9   12      0.026
   7    4    9   18    179.974
   3    5    6    7      0.026
   3    5    6   10    179.974
   8    5    6    7    179.974
   8    5    6   10      0.026
   3    5    8   13    179.974
   3    5    8   19      0.026
   6    5    8   13      0.026
   6    5    8   19    179.974
   5    6    7    4      0.026
   5    6    7   11    179.974
  10    6    7    4    179.974
  10    6    7   11      0.026
   5    6   10   14      0.026
   5    6   10   21    179.974
   7    6   10   14    179.974
   7    6   10   21      0.026
   4    7   11   15      0.026
   4    7   11   20    179.974
   6    7   11   15    179.974
   6    7   11   20      0.026
   5    8   13    2    179.974
   5    8   13   14      0.026
  19    8   13    2      0.026
  19    8   13   14    179.974
   4    9   12    1    179.974
   4    9   12   15      0.026
  18    9   12    1      0.026
  18    9   12   15    179.974
   6   10   14   13      0.026
   6   10   14   23    179.974
  21   10   14   13    179.974
  21   10   14   23      0.026
   7   11   15   12      0.026
   7   11   15   22    179.974
  20   11   15   12    179.974
  20   11   15   22      0.026
   1   12   15   11    179.974
   1   12   15   22      0.026
   9   12   15   11      0.026
   9   12   15   22    179.974
   2   13   14   10    179.974
   2   13   14   23      0.026
   8   13   14   10      0.026
   8   13   14   23    179.974