Molecule FYI-1006104

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A

Molecule Summary:

ID: FYI-1006104
Names:
InChIKey: RJZNBNYSPGTJMB-UHFFFAOYSA-N
SMILES: Cc1ncc(Br)n1C(Br)C(=O)c2ccccc2

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

Molecule ID: FYI-1006104 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-1006104
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-1006104-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
    2.1953    0.3877    1.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9984    0.2096    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339    1.1729    0.1822 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2825    0.6595   -0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780   -0.6366   -1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -1.6947   -2.5928 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1007   -0.9494   -0.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287   -2.3007    0.2642 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3016   -2.9657    1.9774 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5200    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091   -1.6045    0.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008   -3.9261    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746   -4.9983   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8494   -6.2946   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530   -6.5326    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413   -5.4700    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -4.1744    0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508    1.4333    2.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -0.2206    2.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1408    0.1616    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337    1.2541   -1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012   -2.9555   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906   -4.8748   -0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4613   -7.1227   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8532   -7.5440    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634   -5.6541    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3546   -3.3599    0.8561 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, 2606👍, 0💬