Name: diethyl (2-bromo-3,4,5,6-tetrafluorobenzoyl)-malonate
SMILES:
CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(F)c(F)c(F)c1BrMolecular Processing
Molecular formula
C14H11BrF4O5
Molecular weight
415.13
Exact mass
413.9726
XLogP
2.93
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
75.06
Supplementary Information
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Involved in 2 reactions→