Molecule FYI-1008439

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A

Molecule Summary:

ID: FYI-1008439
Names:
InChIKey: GGHBRLQYBZMEPV-UHFFFAOYSA-N
SMILES: Nc1cc(F)c(Br)cn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008439 Edit

Molecule Structure InChIKey: GGHBRLQYBZMEPV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(F)c(Br)cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008439
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.8000    0.0000 F   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 Br  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 N   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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008439-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.9612    0.8470   -0.0016 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030   -1.8805    0.0009 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566    1.2867    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -0.2655   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.0003   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186   -1.0909   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -0.8463    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167    0.4637    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1807    1.4854    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -2.1106   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785    2.5296    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902   -1.1282    0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    0.5347    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1794👍, 0💬