trans-2-(4-Fluorophenyl)vinylboronic acid
Product Information
Molecular Formula
C8H8BFO2
Molecular Weight
165.96
Description
Reactant for:• Suzuki-Miyaura coupling reactions• Preparation of biologically and pharmacologically active molecules• Conjugate addition reactions
Synonyms
(4-Fluorostyryl)boronic acid; 460748-43-0; [(E)-2-(4-fluorophenyl)ethenyl]boronic acid; (E)-(4-Fluorostyryl)boronic acid; 4-Fluorostyrylboronic Acid; (E)-4-fluorostyrylboronic acid; (E)-(4-Fluorostyryl)boronicacid; [(E)-4-Fluorostyryl]boronic acid; trans-(4-fluorophenyl)vinyl boronic acid; trans-2-(4-fluorophenyl)vinyl boronic acid; [(E)-2-(4-fluorophenyl)vinyl]boronic acid; trans-2(-4-Fluoro-phenyl)-vinyl boronic acid; trans-2-(4-Fluorophenyl)vinylboronic acid, 95%
IUPAC Name
[(E)-2-(4-fluorophenyl)ethenyl]boronic acid
SMILES
B(C=CC1=CC=C(C=C1)F)(O)O
InChI
InChI=1S/C8H8BFO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,11-12H/b6-5+
InChI Key
GBNJRIQSFJFDII-AATRIKPKBJ
Melting Point
182-186 °C (lit.)
Flash Point
Not applicable
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
166.0601378 g/mol
Monoisotopic Mass
166.0601378 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
153
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
