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(3-fluoro-5-methoxycarbonylphenyl)boronic acid

(3-fluoro-5-methoxycarbonylphenyl)boronic acid

Name: (3-fluoro-5-methoxycarbonylphenyl)boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C8H8BFO4

Molecular Weight:

197.96

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.0499671 g/mol

Monoisotopic Mass

198.0499671 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

212

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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