Molecule Editor

Molecule ID: FYI-1007445 Edit

Molecule Structure InChIKey: AJKNNUJQFALRIK-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1cccc(F)c1F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007445
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007445-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    0.0004   -2.1266   -0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -0.7600    0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3681   -0.7591    0.0003 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.7873   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.0900    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -0.0896   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.3048    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    1.3053   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    2.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491    1.8473    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    1.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    3.0885    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$