4-FLUORO-2-PROPOXYPHENYLBORONIC ACID

Product Information

Molecular Formula:
C9H12BFO3
Molecular Weight:
198
Description
4-FLUORO-2-PROPOXYPHENYLBORONIC ACID is a paramount biomedical compound that renowned for its prowess in combating cancer and inflammatory afflictions. This extraordinary compound is a derivative of boronic acid and exhibits remarkable specificity towards disease-associated proteins, culminating in impeded disease progression.
Synonyms
(4-fluoro-2-propoxyphenyl)boronicacid;4-Fluoro-2-propoxyphenylboronicacid;480438-60-6;(4-Fluoro-2-propoxyphenyl)boronicacid;ACMC-1ASSE;564524_ALDRICH
IUPAC Name
(4-fluoro-2-propoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)F)OCCC)(O)O
InChI
InChI=1S/C9H12BFO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
InChI Key
RUOLRTURPYSKEY-UHFFFAOYSA-N
Boiling Point
320.1°C at 760 mmHg
Melting Point
83-88°C(lit.)
Purity
95%
Density
1.18g/cm3

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
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
168
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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