Name: ethyl 3-(2, 3,4,5-tetrafluoro-6-methylphenyl)-β-oxopropanoate
SMILES:
CCOC(=O)CC(=O)c1c(C)c(F)c(F)c(F)c1FMolecular Processing
Molecular formula
C12H10F4O3
Molecular weight
278.2
Exact mass
278.0566
XLogP
2.69
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.59
Supplementary Information
Details werden geladen…
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