Molecule Editor

Molecule ID: FYI-1004883 Edit

Molecule Structure InChIKey: ANRQGKOBLBYXFM-UHFFFAOYSA-M

Molecule Structure SMILES String: Br[Mg]c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004883
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    3.6110    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004883-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.0659   -0.0618   -0.0429 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -0.0618   -0.0429 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    5.8459   -0.0618   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5291    1.1576   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9280    1.1762   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418   -0.0269   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9574   -1.2471   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5581   -1.2644   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9731    2.0856   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    2.1208   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7236   -0.0125   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5102   -2.1773   -0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0259   -2.2057   -0.0511 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
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$