(3-fluoro-5-methoxycarbonylphenyl)boronic acid

Product Information

Molecular Formula:
C8H8BFO4
Molecular Weight:
197.96
Description
3-Fluoro-5-methoxycarbonylphenyl boronic acid is a complex boronic acid variant. It is widely used in the field of drug development for its application in the Suzuki coupling reaction for drug production.
Synonyms
(3-fluoro-5-methoxycarbonylphenyl)boronic acid; (3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid; 3-fluoro-5-(methoxycarbonyl)phenylboronic acid; [3-Fluoro-5-(methoxycarbonyl)phenyl]boronic acid; 3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid; (3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid; 3-Fluoro-5-methoxycarbonylphenylboronic acid; (3-Fluoro-5-Methoxycarbonyl)Benzeneboronic Acid; 3-Fluoro-5-methoxycarbonylphenylboronicAcid; 3-Fluoro-5-methoxycarbonylphenylboronic Acid
IUPAC Name
(3-fluoro-5-methoxycarbonylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O
InChI
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key
VKHJVASTGLPBBL-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
198.0499671 g/mol
Monoisotopic Mass
198.0499671 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
212
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

Patents

Publication Number Title Priority Date
WO-2021090030-A1 Gpr52 modulator compounds 2019-11-08
CN-112480116-A PKB inhibitors 2019-09-11
US-2020361939-A1 Modulators of alpha-1 antitrypsin 2019-05-14
WO-2020247160-A1 Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators 2019-05-14
TW-202108588-A Modulators of alpha-1 antitrypsin 2019-05-14
AU-2020286424-A1 Condensed tricyclic pyrroles as alpha-1 antitrypsin Modulators 2019-05-14
CN-114096542-A Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 2019-05-14
KR-20190110736-A Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same 2018-03-21
US-2019322655-A1 Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
WO-2019180646-A1 Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
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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