Molecule FYI-1003261

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A

Molecule Summary:

ID: FYI-1003261
Names:
InChIKey: FLNQILQCKYXZJM-UHFFFAOYSA-N
SMILES: Oc1ccc(N(Cl)Cl)cc1

Received at FYIcenter.com on: 2023-05-30

Molecule ID: FYI-1003261 Edit

Molecule Structure InChIKey: FLNQILQCKYXZJM-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccc(N(Cl)Cl)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003261
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003261-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    2.9513   -1.4673   -0.0014 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    1.4674    0.0013 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4998    0.0000   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    0.0000   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -0.0001    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466   -1.2081    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0465    1.2079   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.2079    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.2080   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   -2.1765    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    2.1763   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -2.1517    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9737    2.1556   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149    0.9201   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

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2023-06-12, 668👍, 0💬