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3-Fluoro-2-methylbenzaldehyde
3-Fluoro-2-methylbenzaldehyde ID: CHB18523
CAS:147624-13-3
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)c1c(c(ccc1)F)C	
FORMULA: C8H7FO
MASS: 138.1390
EXACT MASS: 138.0480931
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8399     0.0000 
   C   3    1.4549     0.8400     0.0000 
   C   4    2.2224     1.4549     0.8400     0.0000 
   C   5    2.5199     1.6800     1.4549     0.8399     0.0000 
   C   6    2.2223     1.4549     1.6800     1.4549     0.8400     0.0000 
   C   7    1.4549     0.8400     1.4549     1.6800     1.4549     0.8399 
   O   8    0.8400     1.4549     2.2224     2.9098     3.0286     2.5199 
   C   9    1.6800     1.4549     0.8399     1.4549     2.2223     2.5199 
   F  10    2.9098     2.2224     1.4549     0.8400     1.4549     2.2224 

              C   7      O   8      C   9      F  10
              --------------------------------------------
   C   7    0.0000 
   O   8    1.6800     0.0000 
   C   9    2.2224     2.5200     0.0000 
   F  10    2.5200     3.6615     1.6800     0.0000 



ATOMIC CHARGES
   C   1    0.2339078031
   C   2    0.0404111799
   C   3    0.0087967966
   C   4    0.1362414392
   C   5    0.0293128865
   C   6    0.0023871084
   C   7    0.0031138229
   O   8   -0.2831545116
   C   9    0.0334873044
   F  10   -0.2045038294


BOND ANGLES
   2    1    8  Car   C2   O2    120.002
   1    2    3   C2  Car  Car    120.002
   1    2    7   C2  Car  Car    119.999
   3    2    7  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    119.999
   2    3    9  Car  Car   C3    120.002
   4    3    9  Car  Car   C3    119.999
   3    4    5  Car  Car  Car    119.999
   3    4   10  Car  Car    F    119.999
   5    4   10  Car  Car    F    120.002
   4    5    6  Car  Car  Car    120.002
   5    6    7  Car  Car  Car    120.002
   2    7    6  Car  Car  Car    119.999


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
   2    3    4   10    179.974
   9    3    4    5    179.974
   9    3    4   10      0.026
   3    4    5    6      0.026
  10    4    5    6    179.974
   4    5    6    7      0.026
   5    6    7    2      0.026
   1    2    7    6    179.974
   3    2    7    6      0.026