2-Bromomethylphenylboronic acid MIDA ester

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Molecular Formula:

C12H13BBrNO4

Molecular Weight:

325.95

CAS Number:

1257740-52-5

Catalog Number:

1257740-52-5

Product Information

Molecular Formula:

C12H13BBrNO4

Molecular Weight:

325.95

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-[2-(Bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 2-(2-(Bromomethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

2-[2-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2CBr

InChI

InChI=1S/C12H13BBrNO4/c1-15-7-11(16)18-13(19-12(17)8-15)10-5-3-2-4-9(10)6-14/h2-5H,6-8H2,1H3

InChI Key

GUOSLMTXTQNEPM-UHFFFAOYSA-N

Melting Point

196-202 °C

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

325.01210 g/mol

Monoisotopic Mass

325.01210 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

335

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)

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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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2-Bromomethylphenylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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