Nom: 3-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile
SMILES:
CC1(C)OB(c2c(F)cccc2C#N)OC1(C)CMolecular Processing
Molecular formula
C13H15BFNO2
Molecular weight
247.08
Exact mass
247.118
XLogP
2
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
66.83
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→