3-Iodophenylboronic acid MIDA ester
Product Information
Molecular Formula
C11H11BINO4
Molecular Weight
358.92
Description
3-Iodophenylboronic acid MIDA ester holds immense importance due to its manifold applications in pharmaceutical synthesis and drug advancement. Exhibiting a diverse chemical composition, this ester assumes a multifaceted role in combating a plethora of ailments, encompassing cancer, diabetes, and inflammation.
Synonyms
2-(3-Iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-(3-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)I
InChI
InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChI Key
GEXCTPQCJMYLNP-UHFFFAOYSA-N
Melting Point
256-260 °C
Flash Point
Not applicable
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
358.98259 g/mol
Monoisotopic Mass
358.98259 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
321
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
