Molecule FYI-1001444

Home > Molecule

A

Molecule Summary:

ID: FYI-1001444
SMILES: OC1C[F+]C(Cl)C1O

Received at FYIcenter.com on: 2022-07-27

Molecule ID: FYI-1001444 Edit

Molecule Structure SMILES String: OC1C[F+]C(Cl)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001444
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 F   0  3  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001444-3D
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    1.0228   -0.0675   -0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    0.0258   -0.1056 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8600   -1.0520    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -0.2885    1.3730 F   0  3  0  0  0  0  0  0  0  0  0  0
    4.1496    1.0308    1.1758 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6203    1.9318    2.6426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7477    1.3636    0.6153 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8152    1.6359    1.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -0.9668   -0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158   -0.0262   -1.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515   -2.0093    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -1.2018    1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152    1.1051    0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    2.2473   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    0.9695    2.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1760👍, 0💬