3-Bromo-5-fluorophenylboronic acid MIDA ester

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
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
328.98703 g/mol
Monoisotopic Mass
328.98703 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
353
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

Patents

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

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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