Molecule FYI-1010629

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Molecule Summary:

ID: FYI-1010629
Names:
InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N
SMILES: Clc1cccc(Cl)c1

Received at FYIcenter.com on: 2024-06-27

Molecule ID: FYI-1010629 Edit

Molecule Structure InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1cccc(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010629
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    2.4249    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    4.8497    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010629-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -2.6987   -1.1679   -0.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6991   -1.1677   -0.0003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0057    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.3082    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.3082    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    1.0867    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    1.0868   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.7842   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0937    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    1.6435   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    1.6436   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    2.8703   -0.0005 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  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  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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2024-07-15, 1851👍, 0💬