Molecule Editor

Molecule ID: FYI-1016466 Edit

Molecule Structure InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1c(Br)cc(Br)cc1Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1016466
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016466-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    1.3385   -2.8717    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3380    2.8718   -0.0003 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540   -0.0002   -0.0005 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    0.0001   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285   -1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4284    1.2080    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -1.2080    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664    1.2079    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639   -0.0001    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122   -2.1491   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    2.1490    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    0.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$