Molecule FYI-1005870

A

Molecule Summary:

ID: FYI-1005870
Names: 1-CHLORO-2-METHYL-2-PROPANOL;
InChIKey: JNOZGFXJZQXOSU-UHFFFAOYSA-N
SMILES: CC(C)(CCl)O

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005870 Edit

Molecule Names: 1-CHLORO-2-METHYL-2-PROPANOL;

Molecule Structure InChIKey: JNOZGFXJZQXOSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CCl)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005870
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    5.1350    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005870-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    2.3237    0.0311   -0.0114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680   -0.0019   -1.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    0.0047    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990   -0.7482    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7025   -0.7411    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051    1.4553    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156   -0.8163    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284   -1.7628    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771   -0.7664    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -0.2684    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061   -1.7730    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3023    2.0575    0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475    1.5167    1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371    1.9338    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322   -0.9265   -1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1820👍, 0💬