Molecule FYI-1005671

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A

Molecule Summary:

ID: FYI-1005671
Names:
InChIKey: HUFURUMRTZXYGA-UHFFFAOYSA-N
SMILES: Brc1ccccc1Cn3nc(I)c2ccccc23

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

Molecule ID: FYI-1005671 Edit

Molecule Structure InChIKey: HUFURUMRTZXYGA-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc1ccccc1Cn3nc(I)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005671
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 Br  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
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 17 18  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005671-3D
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.9824    1.4889   -2.7479 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6313    0.5096   -1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344   -0.7520   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0741   -1.5235    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206   -1.0322    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    0.2219    1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    1.0111   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    2.3749   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2610    2.3294    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446    2.4622    1.3291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588    2.5968    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3298    2.8578    2.7224 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355    2.5668   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    2.7024   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897    2.6160   -2.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874    2.3802   -3.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873    2.2423   -2.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    2.3548   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421   -1.1408   -1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450   -2.5003    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -1.6208    2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397    0.5862    1.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455    2.9189   -1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133    2.9991    0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5770    2.8858   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5070    2.7344   -2.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3778    2.3075   -4.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2579    2.0595   -2.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1963👍, 0💬