Molecule FYI-1011271

A

Molecule Summary:

ID: FYI-1011271
Names: BENZENE DIAZONIUM CHLORIDE;
InChIKey: CLRSZXHOSMKUIB-UHFFFAOYSA-M
SMILES: C1=CC=C(C=C1)[N+]#N.[Cl-]

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011271 Edit

Molecule Names: BENZENE DIAZONIUM CHLORIDE;

Molecule Structure InChIKey: CLRSZXHOSMKUIB-UHFFFAOYSA-M

Molecule Structure SMILES String: C1=CC=C(C=C1)[N+]#N.[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011271
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
    3.7320    1.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011271-3D
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.5582    0.1271    0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080    1.2895    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    1.1989    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985   -0.0619   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295   -1.2354    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668   -1.1303    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107   -0.1622   -0.5608 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4870   -0.2344   -0.7140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -0.1600   -3.3291 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.6173    0.2025    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    2.2631    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0905    2.1102   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -2.2196    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -2.0283    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
$$$$

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2024-08-06, 1315👍, 0💬