Molecule FYI-1005678

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Molecule Summary:

ID: FYI-1005678
Names:
InChIKey: GLJLCZSVSWEONA-UHFFFAOYSA-N
SMILES: Cc1cc(O)cc(O)c1Br

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005678 Edit

Molecule Structure InChIKey: GLJLCZSVSWEONA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(O)cc(O)c1Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1005678
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005678-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    2.9679   -0.0953   -0.0002 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -2.4431    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    0.0653    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659   -0.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -1.2277   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230    0.0313   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -1.1935   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    2.4910    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292    2.1696    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -2.1246   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    2.5856    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7534    2.5858   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428    3.3443    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184   -2.2959    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -0.8466    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2023-11-23, 1725👍, 0💬