Molecule Editor

Molecule ID: FYI-1015879 Edit

Molecule Structure InChIKey: HGHADWZNZJSQEV-UHFFFAOYSA-N

Molecule Structure SMILES String: N[Cl+][Br+]Oc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015879
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.5256    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937    2.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7981    3.0516    0.0000 Br  0  3  0  0  0  0  0  0  0  0  0  0
    1.3995    4.3937    0.0000 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4317    0.0000 N   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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015879-3D
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.4271    1.9541   -0.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    1.3724   -0.1682 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    5.1346    0.5493   -0.0636 Br  0  3  0  0  0  0  0  0  0  0  0  0
    6.7823   -0.2556   -0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5034   -0.5881   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1067   -0.2169   -2.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8784   -0.5922   -3.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0459   -1.3377   -3.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458   -1.7071   -2.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785   -1.3316   -0.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997    1.2899   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    2.8801   -0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079    0.3594   -2.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5707   -0.3040   -4.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6402   -1.6291   -4.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3493   -2.2865   -1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -1.6248    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  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  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$