Name: 3-Chloro-3-(3,4-difluoro-phenyl)-2-oxo-propionic acid methyl ester
SMILES:
COC(=O)C(=O)C(Cl)c1ccc(F)c(F)c1Molecular Processing
Molecular formula
C10H7ClF2O3
Molecular weight
248.61
Exact mass
248.0052
XLogP
1.99
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
51.98
Supplementary Information
Details werden geladen…
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