2-BUTOXY-6-FLUOROPHENYLBORONIC ACID

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Product Information

Molecular Formula:
C10H14BFO3
Description
2-Butoxy-6-fluorophenylboronic acid is biomedical compound that serves as an indispensable element for crafting intricate targeted therapeutic regimens. Its multifarious applications encompass an extensive range, from combating cancer to alleviating inflammatory ailments. This unparalleled amalgamation of attributes seamlessly enhances the efficacy of pharmaceutical interventions while simultaneously curbing detrimental secondary outcomes.
Synonyms
(2-Butoxy-6-fluorophenyl)boronic acid; (2-Butoxy-6-fluorophenyl)boronicacid; (2-Butoxy-6-fluoro-phenyl)boronic acid; B-(2-Butoxy-6-fluorophenyl)boronic acid
IUPAC Name
(2-butoxy-6-fluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC=C1F)OCCCC)(O)O
InChI
InChI=1S/C10H14BFO3/c1-2-3-7-15-9-6-4-5-8(12)10(9)11(13)14/h4-6,13-14H,2-3,7H2,1H3
InChI Key
YWSPOYUEAHISTN-UHFFFAOYSA-N
Melting Point
82-87 °C (lit.)
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
212.1020026 g/mol
Monoisotopic Mass
212.1020026 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
180
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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