Molecule FYI-1008484

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Molecule Summary:

ID: FYI-1008484
Names:
InChIKey: VIZMARKIEQIMIG-UHFFFAOYSA-N
SMILES: Nc1cc(Br)c(Cl)cn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008484 Edit

Molecule Structure InChIKey: VIZMARKIEQIMIG-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(Br)c(Cl)cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008484
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.8000    0.0000 Br  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
    0.0000    0.0000    0.0000 Cl  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 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008484-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.0376   -2.0894    0.0001 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572    1.2187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3094    1.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -0.5363    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840   -0.1231   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -1.1159   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -0.7249   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    0.6277    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    1.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968   -2.1655   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812    2.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712   -1.4284    0.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.1930    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1279👍, 0💬