CCOC=C(C(=O)OCC)C(=O)c1c(F)cc(Cl)c(F)c1Cl
Name: ethyl 2-(2,4-dichloro-3,6-difluorobenzoyl)-3-ethoxy-acrylate
SMILES: CCOC=C(C(=O)OCC)C(=O)c1c(F)cc(Cl)c(F)c1Cl

Molecular Processing

Molecular formula
C14H12Cl2F2O4
Molecular weight
353.15
Exact mass
352.0081
XLogP
3.94
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
77.05

Supplementary Information

Details werden geladen…

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