Molecule FYI-1014330

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A

Molecule Summary:

ID: FYI-1014330
Names:
InChIKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
SMILES: CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1

Received at FYIcenter.com on: 2025-04-02

Molecule ID: FYI-1014330 Edit

Molecule Structure InChIKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014330
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    0.0000    2.8000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014330-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    3.6675    2.0988   -0.0125 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -1.0133    0.0028 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -1.6094   -0.0102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5111    0.2789    0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638    0.4873    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    0.1436    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594   -0.3797    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598    1.1512   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727   -1.1924    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7715   -0.4524   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225    1.7360    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129    0.8121   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256   -1.5315    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957   -0.5293    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    1.4868   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544    2.1949   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1059   -2.0309    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3319   -0.1649   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3434   -0.1939    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028   -1.5319   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6736    2.0388    0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593    2.1447   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212    2.1295    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -2.5816    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

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2025-04-11, 154👍, 0💬