(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
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 |
