Nombre: ethyl 2-(m-trifluoromethylphenyl-phenylmethyl)-4-chloro-3-oxobutanoate
SMILES:
CCOC(=O)C(C(=O)CCl)C(c1ccccc1)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C20H18ClF3O3
Molecular weight
398.81
Exact mass
398.0897
XLogP
4.82
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
95.58
Supplementary Information
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