Molecule FYI-1016768

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A

Molecule Summary:

ID: FYI-1016768
Names:
InChIKey: NNTBDUTXMIMRKK-UHFFFAOYSA-N
SMILES: O=C(O)c1ccc(Cl)o1

Received at FYIcenter.com on: 2026-03-07

Molecule ID: FYI-1016768 Edit

Molecule Structure InChIKey: NNTBDUTXMIMRKK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccc(Cl)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016768
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.7039    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    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  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016768-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    3.2442    0.9257   -0.0011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5361    0.7856    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7043   -0.7521   -0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949    1.4632    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -0.1614    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123   -1.4218    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -1.2373    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    0.1226    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.2755    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4218   -2.3615    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -2.0054   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6263   -0.4167   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
$$$$

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2026-03-22, 752👍, 0💬