Molecule FYI-1008393

Home > Molecule

A

Molecule Summary:

ID: FYI-1008393
Names:
InChIKey: CRRAQLWJVYODCL-UHFFFAOYSA-N
SMILES: Nc1cc(Cl)c(Cl)cn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008393 Edit

Molecule Structure InChIKey: CRRAQLWJVYODCL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(Cl)c(Cl)cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008393
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008393-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -1.8721    2.0349   -0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -1.1066    0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -1.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    0.4530   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    0.0845    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    1.1086    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -0.5791   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -1.5278   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549    2.1489    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797   -2.5916   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329    0.9487    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329    0.9485   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1569👍, 0💬