3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID

Product Information

Molecular Formula:
C8H8O3BF3
Molecular Weight:
219.95
Description
3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID is an indispensable compound in the field of biomedicine. It frequently assumes the status of a pivotal cornerstone in the construction of medicinal compounds aimed at combatting afflictions such as cancer, diabetes, inflammation, and neurodegenerative maladies. The distinctive chemical characteristics exhibited by this compound bestow upon it an irreplaceable role in the intricate endeavors encompassing drug exploration and formulation.
Synonyms
3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID; 4-METHOXY-3-TRIFLUOROMETHYLPHENYLBORONIC ACID; 4-METHOXY-3-(TRIFLUOROMETHYL)BENZENEBORONIC ACID; 4-Methoxy-3-(trifluoromethyl)benzeneboronic acid 98%; 4-Methoxy-3-(trifluoromethyl)benzeneboronicacid98%
IUPAC Name
[4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key
BUSMBMGODABSIN-UHFFFAOYSA-N
Boiling Point
321.6°C at 760mmHg
Melting Point
198-202°C
Flash Point
Not applicable
Purity
98%
Density
1.36g/cm3
Storage
Keep Cold

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
220.0518588 g/mol
Monoisotopic Mass
220.0518588 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
210
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
CN-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 2021-08-23
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29
WO-2021238587-A1 Micromolecular oxathiazine derivative and use thereof 2020-05-29
WO-2021130732-A1 Antibacterial quinolines 2019-12-27
WO-2019189766-A1 Novel biaryl amide derivative 2018-03-30
JP-WO2019189766-A1 New biaryl amide derivative 2018-03-30
EP-3356330-A1 Biaryl kinase inhibitors 2015-10-01
EP-3356330-B1 Biaryl kinase inhibitors 2015-10-01
EP-3356340-A1 Biaryl kinase inhibitors 2015-10-01
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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