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3-Amino-5-bromo-1-cyclopropylmethyl-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-5-bromo-1-cyclopropylmethyl-1,3-dihydro-indol-2-one 1HCl salt ID: B204154
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1ccc(c2)Br)N)CC1CC1	
FORMULA: C12H13BrN2O
MASS: 281.1484
EXACT MASS: 280.0211250
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4442     0.0000 
   C   3    0.7192     0.7194     0.0000 
   C   4    0.4427     0.7181     0.4458     0.0000 
   C   5    0.7166     0.4442     0.4414     0.7158     0.0000 
   C   6    0.6034     0.9540     1.2971     0.9151     1.3113     0.0000 
   C   7    0.8085     1.1545     0.7691     0.4425     1.1343     1.0681 
   C   8    0.8238     1.2403     1.4162     0.9816     1.5332     0.3692 
   C   9    1.1372     1.1561     0.4424     0.7690     0.8089     1.6803 
   O  10    0.8804     0.5417     1.2455     1.2447     0.8804     1.1572 
   C  11    1.3222     1.7444     1.8596     1.4143     2.0221     0.8428 
   C  12    1.0950     1.5391     1.4775     1.0400     1.7224     0.8461 
   N  13    1.1833     0.8367     0.7913     1.1645     0.4732     1.7670 
   C  14    1.3230     1.4674     0.7667     0.8869     1.1950     1.7682 
   C  15    1.1954     1.4667     0.8869     0.7667     1.3212     1.5104 
  Br  16    1.9044     2.0232     1.3061     1.4687     1.7024     2.3400 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9710     0.0000 
   C   9    0.8875     1.7371     0.0000 
   O  10    1.6679     1.5125     1.6690     0.0000 
   C  11    1.2752     0.5044     2.1281     2.0000     0.0000 
   C  12    0.8049     0.5044     1.6854     1.9131     0.5050     0.0000 
   N  13    1.5529     2.0042     0.9789     1.0815     2.4950     2.1896 
   C  14    0.7690     1.7309     0.4423     2.0044     2.0383     1.5514 
   C  15    0.4424     1.3978     0.7689     2.0039     1.6421     1.1425 
  Br  16    1.3029     2.2737     0.8938     2.5512     2.5294     2.0272 

              N  13      C  14      C  15     Br  16
              --------------------------------------------
   N  13    0.0000 
   C  14    1.4187     0.0000 
   C  15    1.6561     0.4458     0.0000 
  Br  16    1.8228     0.5819     0.8888     0.0000 



ATOMIC CHARGES
   N   1   -0.2574477827
   C   2    0.2510567809
   C   3    0.0180009960
   C   4    0.0517052207
   C   5    0.1915203659
   C   6    0.0981760193
   C   7    0.0151430137
   C   8    0.0202305934
   C   9    0.0055318018
   O  10   -0.2726094671
   C  11    0.0017688041
   C  12    0.0017688041
   N  13   -0.1181847350
   C  14    0.0343909306
   C  15    0.0079559333
  Br  16   -0.0490072790


BOND ANGLES
   2    1    4   C2  Nam  Car    108.132
   2    1    6   C2  Nam   C3    130.600
   4    1    6  Car  Nam   C3    121.268
   1    2    5  Nam   C2   C3    107.545
   1    2   10  Nam   C2   O2    126.227
   5    2   10   C3   C2   O2    126.227
   4    3    9  Car  Car  Car    119.938
   4    3    5  Car  Car   C3    107.577
   5    3    9   C3  Car  Car    132.485
   1    4    3  Nam  Car  Car    108.095
   3    4    7  Car  Car  Car    119.949
   1    4    7  Nam  Car  Car    131.956
   2    5   13   C2   C3   N3    131.572
   2    5    3   C2   C3  Car    108.650
   3    5   13  Car   C3   N3    119.778
   1    6    8  Nam   C3   C3    113.579
   4    7   15  Car  Car  Car    120.096
   6    8   11   C3   C3   C3    149.087
   6    8   12   C3   C3   C3    150.835
  11    8   12   C3   C3   C3     60.078
   3    9   14  Car  Car  Car    120.118
   8   11   12   C3   C3   C3     59.958
   8   12   11   C3   C3   C3     59.964
   9   14   16  Car  Car   Br    120.923
   9   14   15  Car  Car  Car    119.944
  15   14   16  Car  Car   Br    119.133
   7   15   14  Car  Car  Car    119.955


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
  10    2    1    4    179.974
  10    2    1    6      0.026
   9    3    4    1    179.974
   9    3    4    7      0.026
   5    3    4    1      0.026
   5    3    4    7    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
   7    4    1    2    179.974
   7    4    1    6      0.026
  13    5    2    1    179.974
  13    5    2   10      0.026
   3    5    2    1      0.026
   3    5    2   10    179.974
   8    6    1    2    179.974
   8    6    1    4      0.026
  15    7    4    3      0.026
  15    7    4    1    179.974
  11    8    6    1    179.974
  12    8    6    1      0.026
  14    9    3    4      0.026
  14    9    3    5    179.974
  12   11    8    6    179.974
  12   11    8   12      0.026
  11   12    8    6    179.974
  11   12    8   11      0.026
  16   14    9    3    179.974
  15   14    9    3      0.026
  14   15    7    4      0.026
   4    3    5    2      0.026
   4    3    5   13    179.974
   9    3    5    2    179.974
   9    3    5   13      0.026
   8   11   12    8      0.026
   7   15   14    9      0.026
   7   15   14   16    179.974


CHIRAL ATOMS
   7   15   14   16    179.974