Molecule FYI-1005089

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Molecule Summary:

ID: FYI-1005089
Names:
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
SMILES: Fc1cc(F)cc(F)c1

Received at FYIcenter.com on: 2023-10-12

Molecule ID: FYI-1005089 Edit

Molecule Structure InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1cc(F)cc(F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005089
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005089-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    2.4409   -1.2324   -0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1532    2.7300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2878   -1.4976   -0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -0.6286    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0781    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671    0.7640   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -1.3927    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451    0.6286    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    1.3588   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389   -2.4768    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2144    1.1181    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  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1580👍, 0💬