Molecule FYI-1002085

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Molecule Summary:

ID: FYI-1002085
Names:
InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N
SMILES: Clc1ccc(Cl)c(Cl)c1

Received at FYIcenter.com on: 2023-01-26

Molecule ID: FYI-1002085 Edit

Molecule Structure InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccc(Cl)c(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002085
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.1026    0.0243    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0708    3.1104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6896    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9826    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4001    2.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    2.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    3.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    4.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726    4.2033    0.0000 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  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002085-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    1.8358   -2.0907   -0.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8046    0.9973    0.0003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2698   -0.4244   -0.0003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.7742    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1329    0.5566   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461   -1.0779    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -0.0507    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1892    1.5839   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721    1.2801   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9751   -2.1150    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    2.6265   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8964    2.0908   -0.0006 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  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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2023-02-19, 1076👍, 0💬