Molecule Editor

Molecule ID: FYI-1015716 Edit

Molecule Structure InChIKey: AGEZXYOZHKGVCM-UHFFFAOYSA-N

Molecule Structure SMILES String: BrCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015716
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015716-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    3.0437   -0.0001    0.8858 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    0.0001   -0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584    1.2081   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.2079   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    0.0001   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109    1.2079    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -1.2080    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870   -0.0001    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    2.1561   -0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -2.1560   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    0.8874   -1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.8870   -1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    2.1484    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0371   -2.1486    0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400   -0.0003    0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$