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3-Amino-1-(2-chloro-benzyl)-5-nitro-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-(2-chloro-benzyl)-5-nitro-1,3-dihydro-indol-2-one 1HCl salt ID: B204170
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ccc2c(c1)C(C(=O)N2c1c(cccc1)Cl)N)[N+](=O)[O-]	
FORMULA: C14H10ClN3O3
MASS: 303.7005
EXACT MASS: 303.0410689
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0393     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0393     1.2000     1.0393     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   N   7    1.7913     1.6205     1.0962     0.6000     0.9708     1.5384 
   C   8    1.9853     1.9853     1.5627     0.9708     0.9707     1.5626 
   C   9    1.6205     1.7912     1.5385     0.9709     0.6000     1.0962 
   N  10    1.8968     2.2342     2.1151     1.6001     1.0798     1.2979 
   O  11    2.7320     2.7318     2.2761     1.7027     1.7029     2.2764 
   C  12    2.2482     1.9466     1.3534     1.0673     1.5504     2.0883 
   C  13    2.2762     1.8387     1.2542     1.2511     1.8344     2.2744 
   C  14    2.8482     2.3722     1.8122     1.8509     2.4312     2.8729 
   C  15    3.3040     2.8778     2.2921     2.2047     2.7377     3.2438 
   C  16    3.2848     2.9479     2.3479     2.1059     2.5562     3.1163 
   C  17    2.8033     2.5385     1.9497     1.6043     1.9971     2.5749 
  Cl  18    1.8604     1.3455     0.8276     1.1001     1.6914     1.9965 
   N  19    0.8080     1.2318     1.7908     2.0079     1.7797     1.2157 
   O  20    0.4427     0.5560     0.7061     0.7579     0.6792     0.5215 
   O  21    1.7847     1.8169     2.3962     2.8401     2.8197     2.3474 

              N   7      C   8      C   9      N  10      O  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    0.9709     0.6000     0.0000 
   N  10    1.6494     1.1936     0.6812     0.0000 
   O  11    1.2072     0.7529     1.2077     1.5505     0.0000 
   C  12    0.5978     1.0673     1.5505     2.2185     1.3991     0.0000 
   C  13    1.0374     1.6044     1.9972     2.6784     1.9990     0.6000 
   C  14    1.5855     2.1059     2.5563     3.2345     2.3616     1.0393 
   C  15    1.7979     2.2048     2.7378     3.3909     2.2625     1.2001 
   C  16    1.5855     1.8509     2.4312     3.0408     1.7551     1.0393 
   C  17    1.0374     1.2510     1.8344     2.4409     1.2245     0.6000 
  Cl  18    1.1978     1.7957     2.0263     2.6863     2.3510     1.0374 
   N  19    2.5968     2.7486     2.3119     2.4202     3.4809     3.0532 
   O  20    1.3488     1.5733     1.2791     1.6803     2.3254     1.8128 
   O  21    3.4326     3.7369     3.4053     3.6229     4.4896     3.7486 

              C  13      C  14      C  15      C  16      C  17     Cl  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 
   C  15    1.0392     0.6000     0.0000 
   C  16    1.2000     1.0393     0.6001     0.0000 
   C  17    1.0392     1.2000     1.0393     0.6001     0.0000 
  Cl  18    0.5980     1.0375     1.5855     1.7979     1.5855     0.0000 
   N  19    3.0446     3.5967     4.0811     4.0876     3.6113     2.5765 
   O  20    1.8826     2.4689     2.8962     2.8514     2.3620     1.5278 
   O  21    3.5460     3.9912     4.5568     4.7163     4.3459     2.9716 

              N  19      O  20      O  21
              ---------------------------------
   N  19    0.0000 
   O  20    1.2501     0.0000 
   O  21    1.2500     2.1651     0.0000 



ATOMIC CHARGES
   C   1    0.2898815314
   C   2    0.0765375494
   C   3    0.0212753144
   C   4    0.0563817032
   C   5    0.0239466000
   C   6    0.0741204626
   N   7   -0.2353337836
   C   8    0.2548389802
   C   9    0.1920431349
   N  10   -0.1181700723
   O  11   -0.2722709219
   C  12    0.0686396317
   C  13    0.0716221967
   C  14    0.0126633190
   C  15    0.0009497094
   C  16    0.0013435916
   C  17    0.0160865827
  Cl  18   -0.0809340133
   N  19    0.0809049939
   O  20    0.0414809301
   O  21   -0.5760074400


BOND ANGLES
   2    1   19  Car  Car  Ntr    121.353
   2    1    6  Car  Car  Car    119.986
   6    1   19  Car  Car  Ntr    118.661
   1    2    3  Car  Car  Car    120.011
   2    3    4  Car  Car  Car    119.990
   3    4    7  Car  Car  Nam    131.995
   5    4    7  Car  Car  Nam    107.997
   3    4    5  Car  Car  Car    120.009
   4    5    9  Car  Car   C3    108.013
   6    5    9  Car  Car   C3    131.994
   4    5    6  Car  Car  Car    119.993
   1    6    5  Car  Car  Car    120.012
   4    7    8  Car  Nam   C2    107.993
   4    7   12  Car  Nam  Car    126.005
   8    7   12   C2  Nam  Car    126.002
   7    8    9  Nam   C2   C3    108.008
   7    8   11  Nam   C2   O2    125.942
   9    8   11   C3   C2   O2    126.051
   5    9    8  Car   C3   C2    107.990
   8    9   10   C2   C3   N3    137.281
   5    9   10  Car   C3   N3    114.729
   7   12   13  Nam  Car  Car    120.004
   7   12   17  Nam  Car  Car    120.003
  13   12   17  Car  Car  Car    119.993
  12   13   14  Car  Car  Car    120.012
  12   13   18  Car  Car   Cl    119.991
  14   13   18  Car  Car   Cl    119.997
  13   14   15  Car  Car  Car    119.995
  14   15   16  Car  Car  Car    120.000
  15   16   17  Car  Car  Car    119.996
  12   17   16  Car  Car  Car    120.004
   1   19   20  Car  Ntr   O2      1.297
   1   19   21  Car  Ntr   O-    118.704
  20   19   21   O2  Ntr   O-    120.001


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


CHIRAL ATOMS
   5    6    1   19    179.974