Molecule FYI-1006103

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A

Molecule Summary:

ID: FYI-1006103
Names:
InChIKey: RJZNBNYSPGTJMB-UHFFFAOYSA-N
SMILES: Cc1ncc(Br)n1C(Br)C(=O)c2ccccc2

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006103 Edit

Molecule Structure InChIKey: RJZNBNYSPGTJMB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncc(Br)n1C(Br)C(=O)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006103
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.3411    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    0.8611    0.0000 Br  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
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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  7  2  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  0  0  0  0
 17  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006103-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
    2.3300    0.2621    1.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287    0.0846    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    1.0479    0.1433 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    0.5334   -0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027   -0.7651   -1.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863   -1.8279   -2.6240 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   -1.0772   -0.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -2.4286    0.2427 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4392   -3.0790    1.9624 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2666   -2.6547    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434   -1.7401    0.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455   -4.0656    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294   -5.1401   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -6.4403   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876   -6.6765    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880   -5.6127    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768   -4.3112    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766    1.3098    2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -0.3369    2.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    0.0229    1.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0485    1.1285   -1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421   -3.0854   -0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447   -5.0174   -0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325   -7.2717   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800   -7.6924    0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082   -5.7959    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -3.4950    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$

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2023-12-29, 2460👍, 0💬