名称: diethyl 6-methyl-2,3,4,5-tetrafluorobenzoylmalonate
SMILES:
CCOC(=O)C(C(=O)OCC)C(=O)c1c(C)c(F)c(F)c(F)c1FMolecular Processing
Molecular formula
C15H14F4O5
Molecular weight
350.26
Exact mass
350.0777
XLogP
2.48
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
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
0.4
Molar refractivity
72.1
Supplementary Information
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