3-ISOPROPOXY-2,4,6-TRIFLUOROBENZENEBORONIC ACID

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Product Information

Molecular Formula:
C9H10BF3O3
Molecular Weight:
233.98
Description
3-ISOPROPOXY-2,4,6-TRIFLUOROBENZENEBORONIC ACID is an extraordinary and highly influential chemical entity. It shows promising potential as a drug for various diseases including cancer, diabetes and inflammation.
Synonyms
(2,4,6-Trifluoro-3-isopropoxyphenyl)boronic acid; (2,4,6-trifluoro-3-propan-2-yloxyphenyl)boronic acid; 3-Isopropoxy-2,4,6-trifluorobenzeneboronic acid; (2,4,6-Trifluoro-3-isopropoxyphenyl)boronicacid; SCHEMBL2558589; [2,4,6-trifluoro-3-(propan-2-yloxy)phenyl]boronic acid; {2,4,6-Trifluoro-3-[(propan-2-yl)oxy]phenyl}boronic acid
IUPAC Name
(2,4,6-trifluoro-3-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C(=C(C=C1F)F)OC(C)C)F)(O)O
InChI
InChI=1S/C9H10BF3O3/c1-4(2)16-9-6(12)3-5(11)7(8(9)13)10(14)15/h3-4,14-15H,1-2H3
InChI Key
ROCZYUISNXPFSX-UHFFFAOYSA-N
Melting Point
103-107°C
Purity
98%
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
234.0675088 g/mol
Monoisotopic Mass
234.0675088 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
230
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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