6-Bromo-2-fluoro-3-methoxyphenylboronic acid pinacol ester
Product Information
Molecular Formula
C13H17BBrFO3
Molecular Weight
330.99
Description
6-Bromo-2-fluoro-3-methoxyphenylboronic acid pinacol ester is a crucial compound used in the biomedical industry for its potential therapeutic properties. It serves as a key intermediate in the synthesis of various pharmaceutical drugs targeting specific diseases. Through its unique chemical structure, this product holds promise in the development of treatments for a wide range of ailments, including cancer, inflammatory disorders, and neurological conditions.
Synonyms
2-(6-Bromo-2-fluoro-3-methoxyphenyl)-4,4,5,5 -tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(6-bromo-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2F)OC)Br
InChI
InChI=1S/C13H17BBrFO3/c1-12(2)13(3,4)19-14(18-12)10-8(15)6-7-9(17-5)11(10)16/h6-7H,1-5H3
InChI Key
WJGGNVJNZKPOLO-UHFFFAOYSA-N
Melting Point
56-64 °C
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
330.04382 g/mol
Monoisotopic Mass
330.04382 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
324
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
