الاسم: 4-[1-(5-bromo-2-trifluoromethoxyphenyl)-methylidene]-2,2,5,5-tetramethyldihydrofuran-3-one
SMILES:
CC1(C)OC(C)(C)C(=Cc2cc(Br)ccc2OC(F)(F)F)C1=OMolecular Processing
Molecular formula
C16H16BrF3O3
Molecular weight
393.2
Exact mass
392.0235
XLogP
4.89
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
83.05
Supplementary Information
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