Molecule Editor

Molecule ID: FYI-1016266 Edit

Molecule Structure InChIKey: NVGZJMUNKNRGHP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)C(Br)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016266
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.5498    3.3124    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.8876    0.0000 C   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
    3.6373    4.2000    0.0000 Br  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016266-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
    1.2626    2.2481    0.9462 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -0.3895   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    0.3191    0.7150 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7979   -1.9246   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    0.0339   -1.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -0.0721    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408    0.1328    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    1.0270   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421   -0.9264    0.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.8558   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849   -1.0976    0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2031   -0.2066   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -0.0359    1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -2.2897    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679   -2.4377   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301   -2.2376   -0.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    1.1179   -1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -0.2967   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450   -0.4174   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472   -0.6820   -0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7056    0.9735    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6221   -0.2815    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.8400   -1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714   -1.6242    1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9575    1.5431   -1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491   -1.9247    0.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479   -0.3413   -0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$