Molecule FYI-1007772

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A

Molecule Summary:

ID: FYI-1007772
Names:
InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
SMILES: O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007772 Edit

Molecule Structure InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007772
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8498    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    1.2125    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007772-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    1.9541    1.1500   -2.5078 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1377   -1.6392    2.1136 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620   -2.9284   -1.0647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7906   -1.9108    0.9092 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -0.2051   -0.3990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640    0.5139   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    0.7178   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4761   -0.6830   -1.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571   -0.2482   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382    1.4350    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728    1.8429    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6797    2.5600    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470    2.7640    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    0.3477   -1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -0.8865    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -1.8749   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124    0.3058   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5511   -0.9285    1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4203   -0.3324    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086   -0.9792   -1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614   -0.4266   -1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861   -1.1146   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812    1.2885   -0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569    2.0278    1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382    3.2769    1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683    3.6399    1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    0.7654   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635   -1.4215    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4925   -0.3651    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025   -3.7011   -0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 16  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$

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