Molecule FYI-1001239

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Molecule Summary:

ID: FYI-1001239
SMILES: ClC1=CC=C(C(=O)C2=CC=C(C=C2)F)C=C1

Received at FYIcenter.com on: 2022-04-05

Molecule ID: FYI-1001239 Edit

Molecule Structure SMILES String: ClC1=CC=C(C(=O)C2=CC=C(C=C2)F)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001239
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001239-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.1064   -0.0197   -0.1290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    0.0037   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2644    0.9586    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612    0.9819    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    0.0645    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8887    0.0602    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -1.0158   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    1.3193    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    2.5347   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9822    3.6854   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2616    3.6133    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689    2.4122    0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    1.2620    0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0193    4.7161    0.2206 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -0.9078   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -0.9344   -0.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.6814    1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1515    1.7132    1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    2.6039   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130    4.6334   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7755    2.3759    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.3179    0.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   -1.6448   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637   -1.6881   -1.3950 H   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
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 1250👍, 0💬