Molecule FYI-1010628

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A

Molecule Summary:

ID: FYI-1010628
Names:
InChIKey: DMEDNTFWIHCBRK-UHFFFAOYSA-N
SMILES: Cc1c(Cl)cccc1Cl

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

Molecule ID: FYI-1010628 Edit

Molecule Structure InChIKey: DMEDNTFWIHCBRK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(Cl)cccc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1010628
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 C   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-1010628-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -2.7261   -0.8612    0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7264   -0.8607    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -0.7355    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.0382    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -2.2339   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    1.3567   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.3568    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    2.0541   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6073   -1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -2.6560    0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613   -2.6562    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    1.9154   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    1.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    3.1402   -0.0002 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  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1523👍, 0💬