2-(3-Fluorobenzyloxy)phenylboronic acid

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Product Information

Molecular Formula:
C13H12BFO3
Molecular Weight:
246.04
Description
2-(3-Fluorobenzyloxy)phenylboronic acid, a critical constituent in advanced biomedicine, facilitates not merely the synthesis of a multitude of pharmaceutical intermediates but also displays significant anticancer and antibacterial properties due to the essential boronic acid segment.
Synonyms
2-(3'-Fluorobenzyloxy)phenylboronic acid; [2-[(3-fluorophenyl)methoxy]phenyl]boronic acid; {2-[(3-fluorobenzyl)oxy]phenyl}boronic acid; {2-[(3-Fluorophenyl)methoxy]phenyl}boronic acid; (2-((3-Fluorobenzyl)oxy)phenyl)boronicacid
IUPAC Name
[2-[(3-fluorophenyl)methoxy]phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1OCC2=CC(=CC=C2)F)(O)O
InChI
InChI=1S/C13H12BFO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
InChI Key
OYOSTGWFRFFDLQ-UHFFFAOYSA-N
Melting Point
99-102 °C

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
246.0863526 g/mol
Monoisotopic Mass
246.0863526 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
252
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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