5-Bromo-2-benzofuranboronic acid MIDA ester

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Product Information

Molecular Formula:
C13H11BBrNO5
Molecular Weight:
351.95
Description
5-Bromo-2-benzofuranboronic acid MIDA ester is a biomedicine chemical used in the drug development of various diseases. It acts as a crucial intermediate for the synthesis of potential drugs targeting cancer, Alzheimer's disease, and other neurological disorders. This compound exhibits remarkable biological activities due to its structural characteristics, leading to promising advancements in biomedical research and drug development.
IUPAC Name
1-(5-bromo-1-benzofuran-2-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
Canonical SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC4=C(O3)C=CC(=C4)Br
InChI
InChI=1S/C13H11BBrNO5/c1-16-6-12(17)20-14(16,21-13(18)7-16)11-5-8-4-9(15)2-3-10(8)19-11/h2-5H,6-7H2,1H3
InChI Key
ZNACQWWAWVGCRP-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
350.99137 g/mol
Monoisotopic Mass
350.99137 g/mol
Topological Polar Surface Area
65.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
495
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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