2,4,6-trifluorophenylboronic acid MIDA ester

Product Information

Molecular Formula:
C11H9BF3NO4
Molecular Weight:
287.00
Description
2,4,6-Trifluorophenylboronic acid MIDA ester, a pharmaceutically pertinent compound possessing distinct applications within the biomedical sphere, primarily aids the synthesis of potent chemotherapeutic agents. It can effectively promote the development of anti-tumor drugs.
IUPAC Name
6-methyl-2-(2,4,6-trifluorophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=C(C=C2F)F)F
InChI
InChI=1S/C11H9BF3NO4/c1-16-4-9(17)19-12(20-10(18)5-16)11-7(14)2-6(13)3-8(11)15/h2-3H,4-5H2,1H3
InChI Key
AUDCPLKVSBTGLL-UHFFFAOYSA-N
Melting Point
269 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
287.0576724 g/mol
Monoisotopic Mass
287.0576724 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
368
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
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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