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4-formylbenzonitrile

4-formylbenzonitrile ID: BBC/403
CAS:105-07-7
Supplier:Aronis

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SMILES:N#Cc1ccc(C=O)cc1	
FORMULA: C8H5NO
MASS: 131.1314
EXACT MASS: 131.0371138
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.3392     0.0000 
   O   3    7.4238     6.1037     0.0000 
   C   4    2.6804     1.3413     4.7913     0.0000 
   C   5    6.6702     5.3311     1.3292     3.9899     0.0000 
   C   6    5.3275     3.9884     2.3143     2.6472     1.3427     0.0000 
   C   7    3.5244     2.3001     4.6084     1.3236     3.5241     2.2941 
   C   8    3.5427     2.3164     3.9848     1.3250     3.5162     2.2917 
   C   9    4.7975     3.5129     3.5261     2.2917     2.3148     1.3250 
   C  10    4.8119     3.5247     2.6612     2.2942     2.3042     1.3235 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.2942     0.0000 
   C   9    1.3235     2.6472     0.0000 
   C  10    2.6500     1.3236     2.2941     0.0000 



ATOMIC CHARGES
   N   1   -0.1908306591
   C   2    0.1004132112
   O   3   -0.2831446873
   C   4    0.0684503588
   C   5    0.2341518822
   C   6    0.0422513843
   C   7    0.0103791979
   C   8    0.0103791979
   C   9    0.0039750571
   C  10    0.0039750571


BOND ANGLES
   1    2    4   N1   C1  Car    179.840
   2    4    7   C1  Car  Car    119.334
   2    4    8   C1  Car  Car    120.632
   7    4    8  Car  Car  Car    120.034
   3    5    6   O2   C2  Car    120.025
   5    6   10   C2  Car  Car    119.581
   5    6    9   C2  Car  Car    120.383
   9    6   10  Car  Car  Car    120.036
   4    7    9  Car  Car  Car    119.929
   4    8   10  Car  Car  Car    120.034
   6    9    7  Car  Car  Car    120.036
   6   10    8  Car  Car  Car    119.929


TORSION ANGLES
   7    4    2    1    179.974
   8    4    2    1      0.026
   3    5    6   10      0.026
   3    5    6    9    179.974
   5    6   10    8    179.974
   9    6   10    8      0.026
   9    7    4    2    179.974
   9    7    4    8      0.026
  10    8    4    2    179.974
  10    8    4    7      0.026
   6    9    7    4      0.026
   6   10    8    4      0.026
   7    9    6    5    179.974
   7    9    6   10      0.026