3-Bromo-2-fluorophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H10BBrFNO4

Molecular Weight:

329.91

CAS Number:

1257647-82-7

Catalog Number:

1257647-82-7

Product Information

Molecular Formula:

C11H10BBrFNO4

Molecular Weight:

329.91

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

3-Bromo-2-fluorophenylboronic acid MIDA ester; 2-(3-Bromo-2-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 3-Bromo-2-fluorophenylboronic acid MIDA ester, 97%

IUPAC Name

2-(3-bromo-2-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C(=CC=C2)Br)F

InChI

InChI=1S/C11H10BBrFNO4/c1-15-5-9(16)18-12(19-10(17)6-15)7-3-2-4-8(13)11(7)14/h2-4H,5-6H2,1H3

InChI Key

POSHLJSRMPWZEE-UHFFFAOYSA-N

Melting Point

243-247 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

328.98703 g/mol

Monoisotopic Mass

328.98703 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

353

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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3-Bromo-2-fluorophenylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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