3-BUTOXY-2,4,6-TRIFLUOROPHENYLBORONIC A&
Product Information
Molecular Formula
C10H12BF3O3
Molecular Weight
248.007
Description
3-BUTOXY-2,4,6-TRIFLUOROPHENYLBORONIC ACID, an exceptional biocompatible agent, has garnered immense attention for its remarkable efficacy in combatting a myriad of ailments and afflictions. Its indispensability lies not only in its role as a pharmaceutical intermediate facilitating the synthesis of organic compounds, but also in enabling the advent of groundbreaking therapeutics that tackle neoplastic growth, inflammatory processes, and an array of associated pathologies.
Synonyms
(3-Butoxy-2,4,6-trifluorophenyl)boronic acid; 3-Butoxy-2,4,6-trifluorophenylboronic acid; 3-BUTOXY-2,4,6-TRIFLUOROPHENYLBORONIC A&; (3-Butoxy-2,4,6-trifluorophenyl)boronicacid
IUPAC Name
(3-butoxy-2,4,6-trifluorophenyl)boronic acid
SMILES
B(C1=C(C(=C(C=C1F)F)OCCCC)F)(O)O
InChI
InChI=1S/C10H12BF3O3/c1-2-3-4-17-10-7(13)5-6(12)8(9(10)14)11(15)16/h5,15-16H,2-4H2,1H3
InChI Key
ZSXDVYMTOUGRDJ-UHFFFAOYSA-N
Boiling Point
351.2°C at 760 mmHg
Melting Point
117-123°C
Purity
98%
Density
1.28g/cm3
Appearance
White to tan powder, crystals, crystalline powder and/or chunks
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
248.0831589 g/mol
Monoisotopic Mass
248.0831589 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
233
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
