5-FLUORO-2-ISOPROPOXYPHENYLBORONIC ACID

Product Information

Molecular Formula:
C9H12BFO3
Molecular Weight:
198
Description
5-FLUORO-2-ISOPROPOXYPHENYLBORONIC ACID is a vital compound in the biomedical industry used for the drug development of various diseases. Its inhibitory properties make it an effective drug in combating cancer, specifically lung and breast cancers. Additionally, this product plays an essential role in biochemical research as a chemical probe to investigate and target specific biological processes related to these diseases.
Synonyms
(5-fluoro-2-propan-2-yloxyphenyl)boronic acid; 5-fluoro-2-isopropoxyphenylboronicacid; (5-Fluoro-2-isopropoxyphenyl)boronicacid; {5-Fluoro-2-[(propan-2-yl)oxy]phenyl}boronic acid
IUPAC Name
(5-fluoro-2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)F)OC(C)C)(O)O
InChI
InChI=1S/C9H12BFO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3
InChI Key
HURKIYCPAQBJFZ-UHFFFAOYSA-N
Melting Point
79-83 °C (lit.)
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
198.0863526 g/mol
Monoisotopic Mass
198.0863526 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
177
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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