Название: 2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1FMolecular Processing
Molecular formula
C14H18BFO4
Molecular weight
280.1
Exact mass
280.1282
XLogP
1.91
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.46
Supplementary Information
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