Molecule FYI-1005668

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Molecule Summary:

ID: FYI-1005668
Names:
InChIKey: BECWEDJJQMUFRO-UHFFFAOYSA-N
SMILES: BrCc1cccc(OBr)c1

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005668 Edit

Molecule Structure InChIKey: BECWEDJJQMUFRO-UHFFFAOYSA-N

Molecule Structure SMILES String: BrCc1cccc(OBr)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005668
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   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 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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3001    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005668-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.1031   -0.3758    0.0871 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9982    0.0476    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017    1.1476    0.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    2.4892    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    3.5094    1.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550    3.2036    2.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9212    1.8727    3.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3134    1.4505    4.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    2.5248    5.8730 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6541    0.8517    2.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228    0.3402   -1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5482   -0.8685    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449    2.7496   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    4.5491    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    4.0216    3.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -0.1843    2.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2983👍, 0💬