CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F
名称: Diethyl 2,3,4,5-tetrafluorobenzoylmalonate
SMILES: CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

Molecular Processing

Molecular formula
C14H12F4O5
Molecular weight
336.24
Exact mass
336.0621
XLogP
2.17
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
67.36

Supplementary Information

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