Molecule FYI-1001774

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A

Molecule Summary:

ID: FYI-1001774
SMILES: C1=CC(=CC(=C1)I)CBr

Received at FYIcenter.com on: 2022-11-29

Molecule ID: FYI-1001774 Edit

Molecule Structure SMILES String: C1=CC(=CC(=C1)I)CBr

Download SDF Download SVG Structure in 2D SDF:

FYI-1001774
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   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
    3.6374    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001774-3D
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.9285   -1.1939   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5965    0.0319   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    1.2364    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755    1.1906    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131   -0.0386    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -1.2313   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -0.0908    0.0095 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982    2.5519    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322    3.1365   -1.7839 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -2.1213   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    0.0407   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064    2.1176    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -2.1926   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5672    2.4782    0.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    3.3326    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2023-01-06, 419👍, 0💬