Molecule FYI-1016230

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Molecule Summary:

ID: FYI-1016230
Names:
InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N
SMILES: ClCCCCBr

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016230 Edit

Molecule Structure InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N

Molecule Structure SMILES String: ClCCCCBr

Download SDF Download SVG Structure in 2D SDF:

FYI-1016230
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016230-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
    3.1842   -0.7030    0.1549 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332   -1.1626   -0.2375 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4238   -0.0100    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348    0.9090   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436    0.5172   -0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836    0.4493    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -1.0226   -0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.0903    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    1.9214    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874    0.9810   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    0.5856   -1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017    1.4899    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678    0.4034    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8714    1.1457    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 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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2025-12-09, 940👍, 0💬