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4-fluoro-2-nitrobenzaldehyde
4-fluoro-2-nitrobenzaldehyde ID: CHB18515
CAS:2923-96-8
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)c1c(cc(cc1)F)[N+](=O)[O-]	
FORMULA: C7H4FNO3
MASS: 169.1100
EXACT MASS: 169.0175212
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8326     0.0000 
   C   3    1.4420     0.8326     0.0000 
   C   4    2.2026     1.4419     0.8325     0.0000 
   C   5    2.4975     1.6650     1.4419     0.8325     0.0000 
   C   6    2.2026     1.4419     1.6650     1.4419     0.8324     0.0000 
   C   7    1.4420     0.8325     1.4420     1.6650     1.4419     0.8325 
   O   8    0.8325     1.4419     2.2026     2.8838     3.0016     2.4975 
   N   9    1.6651     1.4420     0.8325     1.4419     2.2026     2.4975 
   O  10    2.4975     2.2026     1.4419     1.6650     2.4975     3.0016 
   O  11    1.4419     1.6650     1.4419     2.2026     2.8838     3.0016 
   F  12    3.3300     2.4975     2.2026     1.4419     0.8325     1.4419 

              C   7      O   8      N   9      O  10      O  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.6650     0.0000 
   N   9    2.2026     2.4975     0.0000 
   O  10    2.8838     3.3299     0.8324     0.0000 
   O  11    2.4975     2.2026     0.8325     1.4419     0.0000 
   F  12    2.2026     3.8149     2.8838     3.0016     3.6287     0.0000 




ATOMIC CHARGES
   C   1    0.2402830591
   C   2    0.1115801652
   C   3    0.2953272259
   C   4    0.1049390939
   C   5    0.1462703194
   C   6    0.0301538902
   C   7    0.0117521986
   O   8   -0.2829258247
   N   9    0.0811013023
   O  10    0.0414833509
   O  11   -0.5760055162
   F  12   -0.2039592647


BOND ANGLES
   2    1    8  Car   C2   O2    119.993
   1    2    3   C2  Car  Car    119.996
   1    2    7   C2  Car  Car    120.002
   3    2    7  Car  Car  Car    120.002
   2    3    4  Car  Car  Car    119.993
   2    3    9  Car  Car  Ntr    120.002
   4    3    9  Car  Car  Ntr    120.005
   3    4    5  Car  Car  Car    120.005
   4    5    6  Car  Car  Car    119.999
   4    5   12  Car  Car    F    119.996
   6    5   12  Car  Car    F    120.005
   5    6    7  Car  Car  Car    120.005
   2    7    6  Car  Car  Car    119.996
  10    9   11   O2  Ntr   O-    120.005
   3    9   10  Car  Ntr   O2    119.999
   3    9   11  Car  Ntr   O-    119.996


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