Molecule FYI-1005842

A

Molecule Summary:

ID: FYI-1005842
Names:
InChIKey: XOYCKFHYCHIPNB-UHFFFAOYSA-N
SMILES: CCOC(=O)c2cn(CCO)c1cc(Cl)c(F)cc1c2=O

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005842 Edit

Molecule Structure InChIKey: XOYCKFHYCHIPNB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2cn(CCO)c1cc(Cl)c(F)cc1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005842
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   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
    1.2124    3.5000    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    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 F   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005842-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
    5.1921   -0.7365    0.3395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5567   -3.0828   -0.4223 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -0.7770    0.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -1.9470   -0.5701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587    3.8674   -1.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5775    1.4539   -0.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5282    1.5199    0.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    0.3743    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107   -0.8425   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    2.7684    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441    1.4312    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302    0.3371    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -0.9089   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    0.3724    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629   -2.0018   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455    3.5858   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780   -0.7843    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.9683   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    0.4318   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545   -0.8455    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973   -2.2475    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    2.6250    1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    3.3583    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.3696    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    1.2727    0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879   -2.9357   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366    3.0465   -0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048    4.5337   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3859   -0.1275    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2869   -0.6012   -0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    4.3951   -1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4865   -2.3359    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9582   -2.9785   -0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0562   -2.5127    1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  1  0  0  0  0
  5 31  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

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2023-11-23, 759👍, 0💬