Molecule FYI-1005681

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A

Molecule Summary:

ID: FYI-1005681
Names:
InChIKey: DNZDVYDPRQYCBF-UHFFFAOYSA-N
SMILES: COc2cc(CBr)cc(Oc1ccccc1)c2

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

Molecule ID: FYI-1005681 Edit

Molecule Structure InChIKey: DNZDVYDPRQYCBF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(CBr)cc(Oc1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005681
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005681-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2954    0.1997   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    0.0774    0.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.1575    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180   -2.3063   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2950   -3.5305   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337   -4.7510   -1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7287   -4.8140   -2.8997 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -3.5851    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846   -2.4232    0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1613   -2.3744    1.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981   -3.2212    1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -3.6418   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5313   -4.5430   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3238   -4.9764    0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826   -4.5009    2.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0213   -3.6245    2.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813   -1.2236    0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515    1.2346   -0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -0.4471   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582   -0.0056   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -2.2753   -1.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570   -4.7380   -1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910   -5.6736   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9659   -4.5363    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -3.2943   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234   -4.9042   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1365   -5.6755    0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178   -4.8157    2.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   -3.2586    3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664   -0.3259    1.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2127👍, 0💬