Molecule FYI-1005573

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A

Molecule Summary:

ID: FYI-1005573
Names:
InChIKey: RNRICTXVFAKVAZ-UHFFFAOYSA-N
SMILES: Cc1cc(=O)oc2cc(N)c(Br)cc12

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005573 Edit

Molecule Structure InChIKey: RNRICTXVFAKVAZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(=O)oc2cc(N)c(Br)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005573
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 Br  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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005573-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    3.9241    1.3650    0.0006 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508   -1.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356   -1.3736    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3377   -1.7355    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761    0.6240   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214   -0.7710   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4422    1.3691   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    1.2332   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338   -1.5547   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770   -0.9308   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.4609    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965    0.6876    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    2.8697   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -0.7837    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    2.3176    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545   -2.6387   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5508    1.2057    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211    3.2542   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    3.2541    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411    3.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584   -2.7437   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2502   -1.2994   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1728👍, 0💬