Molecule FYI-1006348

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A

Molecule Summary:

ID: FYI-1006348
Names:
InChIKey: SNAXOQBANKZYPD-UHFFFAOYSA-N
SMILES: N=Cc1ccc(Br)o1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006348 Edit

Molecule Structure InChIKey: SNAXOQBANKZYPD-UHFFFAOYSA-N

Molecule Structure SMILES String: N=Cc1ccc(Br)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006348
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 O   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
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006348-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    3.2648    0.6646    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    0.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388    0.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456   -1.2362   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697   -1.2525    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096   -2.0891   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -2.1219    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018    0.7539    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

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2023-12-29, 264👍, 0💬