Molecule Editor

Molecule ID: FYI-1014875 Edit

Molecule Structure InChIKey: XQOKQZLBJBEAJL-UHFFFAOYSA-N

Molecule Structure SMILES String: P[H](Br)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014875
FYIcenter.com

  9  9  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 H   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
    3.6373    4.2000    0.0000 P   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
  7  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014875-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.9807    0.6149    0.4870 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    0.0931   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0668    1.3083    0.7386 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.4799   -0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -0.3476   -2.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -1.0833   -3.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302   -1.9505   -2.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037   -2.0954   -1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -1.3641   -0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -0.1450    1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582   -0.3031   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    0.3315   -2.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -0.9649   -4.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550   -2.5125   -3.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3688   -2.7656   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528   -1.4808    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$