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2-Amino-3-chlorobenzonitrile
2-Amino-3-chlorobenzonitrile ID: API-35663
CAS:53312-77-9
Supplier:APIchem

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SMILES:Clc1c(N)c(ccc1)C#N	ChemMol.com
FORMULA: C7H5ClN2
MASS: 152.5810
EXACT MASS: 152.0141258
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    2.0000     0.0000 
   N   3    4.3589     2.6458     0.0000 
   C   4    1.7320     1.0000     2.6458     0.0000 
   C   5    2.6458     1.7321     2.0000     1.0001     0.0000 
   C   6    1.0000     1.7320     3.6055     1.0000     1.7321     0.0000 
   C   7    3.0000     2.6458     2.6457     1.7321     1.0000     2.0000 
   C   8    1.7320     2.6457     4.0000     1.7320     2.0000     1.0000 
   C   9    2.6457     3.0000     3.6056     2.0000     1.7321     1.7320 
   C  10    3.4641     2.0000     1.0000     1.7321     1.0000     2.6458 
   H  11    3.6200     3.1408     2.6008     2.2901     1.4158     2.6200 
   H  12    1.8397     3.1407     4.6200     2.2900     2.6200     1.4158 
   H  13    3.1407     3.6200     4.0601     2.6200     2.2901     2.2901 
   H  14    1.7732     0.6200     3.2380     1.4158     2.2901     1.8397 
   H  15    2.6200     0.6201     2.2146     1.4158     1.8397     2.2901 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0001     1.0000     0.0000 
   C  10    1.7320     3.0000     2.6458     0.0000 
   H  11    0.6200     2.2901     1.4158     1.8397     0.0000 
   H  12    2.2901     0.6200     1.4157     3.6200     2.8059     0.0000 
   H  13    1.4158     1.4158     0.6200     3.1408     1.6200     1.6199 
   H  14    3.1408     2.8292     3.3533     2.6200     3.6739     3.2380 
   H  15    2.8292     3.1408     3.3533     1.7732     3.2380     3.6739 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.9665     0.0000 
   H  15    3.9665     1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0815995461
   N   2   -0.3558428160
   N   3   -0.1908082643
   C   4    0.0606863315
   C   5    0.0737650553
   C   6    0.0628120499
   C   7   -0.0424740202
   C   8   -0.0415252408
   C   9   -0.0590487950
   C  10    0.1010434024
   H  11    0.0630933793
   H  12    0.0632666390
   H  13    0.0618397286
   H  14    0.1423960482
   H  15    0.1423960482


BOND ANGLES
   4    2   14  Car  Npl   HC    120.002
   4    2   15  Car  Npl   HC    119.997
  14    2   15   HC  Npl   HC    120.001
   2    4    5  Npl  Car  Car    119.998
   2    4    6  Npl  Car  Car    120.001
   5    4    6  Car  Car  Car    120.001
   4    5    7  Car  Car  Car    119.998
   4    5   10  Car  Car   C1    120.001
   7    5   10  Car  Car   C1    120.001
   1    6    4   Cl  Car  Car    119.999
   1    6    8   Cl  Car  Car    120.001
   4    6    8  Car  Car  Car    120.001
   5    7    9  Car  Car  Car    119.998
   5    7   11  Car  Car   HC    120.002
   9    7   11  Car  Car   HC    120.000
   6    8    9  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    120.002
   9    8   12  Car  Car   HC    119.998
   7    9    8  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    119.998
   8    9   13  Car  Car   HC    120.001
   3   10    5   N1   C1  Car    179.974


TORSION ANGLES
  14    2    4    5    179.974
  14    2    4    6      0.026
  15    2    4    5      0.026
  15    2    4    6    179.974
   2    4    5    7    179.974
   2    4    5   10      0.026
   6    4    5    7      0.026
   6    4    5   10    179.974
   2    4    6    1      0.026
   2    4    6    8    179.974
   5    4    6    1    179.974
   5    4    6    8      0.026
   4    5    7    9      0.026
   4    5    7   11    179.974
  10    5    7    9    179.974
  10    5    7   11      0.026
   4    5   10    3    180.000
   7    5   10    3    180.000
   1    6    8    9    179.974
   1    6    8   12      0.026
   4    6    8    9      0.026
   4    6    8   12    179.974
   5    7    9    8      0.026
   5    7    9   13    179.974
  11    7    9    8    179.974
  11    7    9   13      0.026
   6    8    9    7      0.026
   6    8    9   13    179.974
  12    8    9    7    179.974
  12    8    9   13      0.026