3-Bromo-5-fluorophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H10BBrFNO4

Molecular Weight:

329.91

CAS Number:

1257650-61-5

Catalog Number:

1257650-61-5

Product Information

Molecular Formula:

C11H10BBrFNO4

Molecular Weight:

329.91

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-(3-Bromo-5-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 3-Bromo-5-fluorophenylboronic acid MIDA ester, 97%

IUPAC Name

2-(3-bromo-5-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

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

InChI

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

InChI Key

ABRYALMIBLCOGS-UHFFFAOYSA-N

Melting Point

106-110 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - 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

Patents

Publication Number	Title	Priority Date
WO-2016088082-A1	Amidomethyl-biaryl derivatives complement factor d inhibitors and uses thereof	2014-12-05

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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