Molecule FYI-1003260

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A

Molecule Summary:

ID: FYI-1003260
Names:
InChIKey: UORMMZCHDTWQMS-UHFFFAOYSA-N
SMILES: COC(C)(Cl)Nc1ccc(O)cc1

Received at FYIcenter.com on: 2023-05-30

Molecule ID: FYI-1003260 Edit

Molecule Structure InChIKey: UORMMZCHDTWQMS-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(C)(Cl)Nc1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003260
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    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 O   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 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.8876    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  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  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003260-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    0.9065    2.7499   -1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997    2.6014   -1.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    1.3120   -0.8120 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1936    0.8127    0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636    0.0942   -2.0792 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2443    1.3468   -0.6616 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    2.2280   -1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2506    2.6506   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    3.4999   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7401    3.9018   -2.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241    4.7390   -3.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5610    3.4536   -3.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194    2.6093   -2.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242    3.7811   -1.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671    2.5937   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    2.0892   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1132    0.6462    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    1.5513    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503   -0.1297    0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    0.4043   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    2.3410    0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0240    3.8362   -1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2936    4.9877   -3.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878    3.7610   -4.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083    2.2742   -3.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2989👍, 0💬