3-ETHOXY-2,4,6-TRIFLUOROPHENYLBORONIC A&

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Product Information

Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.953
Description
3-ETHOXY-2,4,6-TRIFLUOROPHENYLBORONIC ACID plays a vital role in a variety of biomedical applications by promoting the production of boronic acid esters that are critical in cancer treatment, diabetes management, and anti-inflammatory treatments.
Synonyms
(3-Ethoxy-2,4,6-trifluorophenyl)boronic acid; 3-Ethoxy-2,4,6-trifluorophenylboronic acid; 3-ETHOXY-2,4,6-TRIFLUOROPHENYLBORONIC A&; (3-Ethoxy-2,4,6-trifluorophenyl)boronicacid; 3-Ethoxy-2,4,6-Trifluorobenzeneboronic acid; 3-Ethoxy-2,4,6-trifluorophenylboronic acid, >=95%
IUPAC Name
(3-ethoxy-2,4,6-trifluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C(=C(C=C1F)F)OCC)F)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-2-15-8-5(11)3-4(10)6(7(8)12)9(13)14/h3,13-14H,2H2,1H3
InChI Key
SGJHUHAGELVQDV-UHFFFAOYSA-N
Boiling Point
326.7°C at 760 mmHg
Melting Point
119-123°C
Purity
98%
Density
1.37g/cm3
Appearance
White to tan powder, crystals, crystalline powder and/or chunks

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
220.0518588 g/mol
Monoisotopic Mass
220.0518588 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
208
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)

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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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