Molecule FYI-1013938

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A

Molecule Summary:

ID: FYI-1013938
Names:
InChIKey: DRRHRGANNZZVHF-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013938 Edit

Molecule Structure InChIKey: DRRHRGANNZZVHF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013938
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.5746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013938-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
    3.9028    1.9237   -0.3551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7197   -1.1975   -0.0996 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826    1.6196    0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.4729   -0.1601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3461   -0.2228   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0744   -1.4411   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096    0.0228    1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6460    1.0110   -1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004    0.4862    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4271    0.0834    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    1.0587   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493   -1.2534    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251    0.6800   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893   -1.6322    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772   -0.6656   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643   -2.3427   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1597   -1.2918   -0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7531   -1.6412   -1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761    0.9260    1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383   -0.8181    1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8990    0.1375    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932    0.9205   -2.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7273    1.1284   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923    1.9471   -0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6043   -1.3605   -0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    2.1062   -0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -2.0327    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471   -2.6842    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 907👍, 0💬