CCOC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F
Name: ethyl 2-(2,3,4,5-tetrafluorobenzoyl)-3-ethoxyacrylate
SMILES: CCOC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

Molecular Processing

Molecular formula
C14H12F4O4
Molecular weight
320.24
Exact mass
320.0672
XLogP
2.91
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
66.95

Supplementary Information

Details werden geladen…

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