Molecule FYI-1006586

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A

Molecule Summary:

ID: FYI-1006586
Names:
InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
SMILES: Oc1cccc(Cl)c1

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006586 Edit

Molecule Structure InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1cccc(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006586
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006586-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    2.7478   -0.9696    0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353   -1.2050    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -0.4309   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -1.0278   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3295    0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -0.2344   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.7526    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785    1.1558    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319   -2.1119   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088    1.4301    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    2.8351    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    1.7867    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -2.1413    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2520👍, 0💬