Molecule FYI-1007406

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A

Molecule Summary:

ID: FYI-1007406
Names:
InChIKey: OSIYFMVMZXJKSP-UHFFFAOYSA-N
SMILES: Cc2c(CBr)n1c(CBr)c(C)c(=O)n1c2=O

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007406 Edit

Molecule Structure InChIKey: OSIYFMVMZXJKSP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(CBr)n1c(CBr)c(C)c(=O)n1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007406
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0330    5.0145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    5.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    5.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    5.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    6.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    4.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    3.3311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    3.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    2.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3770    3.3960    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7336    1.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    0.0000    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007406-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
   -1.9654   -2.7228    1.6208 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.7223   -1.6209 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    2.7364   -0.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    2.7368    0.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2236   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.1405   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874   -0.6845   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.6842    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549    0.3469   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547    0.3473    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    1.5939   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197    1.5941    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6148   -2.1365   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6151   -2.1361    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6244    0.4068   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    0.4075    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8570   -2.7719   -0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -2.3196   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -2.7718    0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -2.3190    0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781    0.9089   -1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0815    0.9643    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0770   -0.5885   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767   -0.5876    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8770    0.9097    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    0.9652   -0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1842👍, 0💬