3-ACETYL-2-FLUOROPHENYLBORONIC ACID

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Product Information

Molecular Formula
C8H8BFO3
Description
3-ACETYL-2-FLUOROPHENYLBORONIC ACID has unique structural properties and significant reactivity, showing great promise in the development of drugs against a range of diseases from malignant tumors to inflammatory diseases.
Synonyms
(3-Acetyl-2-fluorophenyl)boronic acid; (3-Acetyl-2-fluorophenyl)boronicacid
IUPAC Name
(3-acetyl-2-fluorophenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)C(=O)C)F)(O)O
InChI
InChI=1S/C8H8BFO3/c1-5(11)6-3-2-4-7(8(6)10)9(12)13/h2-4,12-13H,1H3
InChI Key
SEMRLZGDJZRZMC-UHFFFAOYSA-N
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
182.0550524 g/mol
Monoisotopic Mass
182.0550524 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
198
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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