Molecule FYI-1007848

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Molecule Summary:

ID: FYI-1007848
Names:
InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
SMILES: Oc1ccccc1Cl

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007848 Edit

Molecule Structure InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccccc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007848
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 Cl  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007848-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    2.2677   -1.2333    0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    1.6750   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    0.7990   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403    1.3051    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169   -1.4523   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285    0.4325    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168   -0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.3780    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687   -2.5292   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406    0.8265    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642   -1.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    1.1630   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  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
  8 12  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1021👍, 0💬