5-Benzofurazanboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H10BN3O5

Molecular Weight:

275.03

Product Information

Molecular Formula:

C11H10BN3O5

Molecular Weight:

275.03

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-(Benzo[c][1,2,5]oxadiazol-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,Benzo[c][1,2,5]oxadiazol-5-yl-5-boronic acid MIDA ester

IUPAC Name

2-(2,1,3-benzoxadiazol-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C11H10BN3O5/c1-15-5-10(16)18-12(19-11(17)6-15)7-2-3-8-9(4-7)14-20-13-8/h2-4H,5-6H2,1H3

InChI Key

KNDBMWQPGMKUPR-UHFFFAOYSA-N

Melting Point

258-263 °C

Flash Point

Not applicable

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

275.0713506 g/mol

Monoisotopic Mass

275.0713506 g/mol

Topological Polar Surface Area

94.8Å²

Heavy Atom Count

Formal Charge

Complexity

390

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

5-Benzofurazanboronic acid MIDA ester

Product Information

Computed Properties

Related Products