Molecule FYI-1003675

Home > Molecule

A

Molecule Summary:

ID: FYI-1003675
Names:
InChIKey: RTSJJHYXCWCRRJ-UHFFFAOYSA-N
SMILES: BrN(Br)c1ccccn1

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003675 Edit

Molecule Structure InChIKey: RTSJJHYXCWCRRJ-UHFFFAOYSA-N

Molecule Structure SMILES String: BrN(Br)c1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003675
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Br  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
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003675-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    2.6036   -1.5772    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6628    1.5243    0.0007 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.2177   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -0.0069   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1938    0.0201   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4637   -1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541   -1.1894    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    0.0230    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848    1.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -2.1691    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072   -2.1239    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183    0.0550    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    2.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1664👍, 0💬