CCOC=C(C(=O)OCC)C(=O)c1c(F)c(Cl)c(F)c(F)c1Cl
Name: ethyl 2-(2,5-dichloro-3,4,6-trifluorobenzoyl)-3-ethoxyacrylate
SMILES: CCOC=C(C(=O)OCC)C(=O)c1c(F)c(Cl)c(F)c(F)c1Cl

Molecular Processing

Molecular formula
C14H11Cl2F3O4
Molecular weight
371.14
Exact mass
369.9986
XLogP
4.08
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
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
0.286
Molar refractivity
77.01

Supplementary Information

Details werden geladen…

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