4-Methoxy-2,3,5,6-tetrafluorophenylboronic acid
Product Information
Molecular Formula
C7H5BF4O3
Molecular Weight
223.92
Description
4-Methoxy-2,3,5,6-tetrafluorophenylboronic acid is an indispensable compound extensively employed in the biomedical arena that assumes a pivotal position as a central intermediary within the intricate web of pharmaceutical drug synthesis.
Synonyms
(2,3,5,6-Tetrafluoro-4-methoxyphenyl)boronic Acid; 4-Methoxy-2,3,5,6-tetrafluorophenylboronic acid; (2,3,5,6-Tetrafluoro-4-methoxyphenyl)boronicacid; 4-Methoxy-2,3,5,6-tetrafluorophenylboro&; B-(2,3,5,6-Tetrafluoro-4-methoxy-phenyl)boronic acid; 4-Methoxy-2,3,5,6-tetrafluorophenylboronic acid, >=95%
IUPAC Name
(2,3,5,6-tetrafluoro-4-methoxyphenyl)boronic acid
SMILES
B(C1=C(C(=C(C(=C1F)F)OC)F)F)(O)O
InChI
InChI=1S/C7H5BF4O3/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h13-14H,1H3
InChI Key
AVCUUTFGJGZDMS-UHFFFAOYSA-N
Melting Point
144-149 °C
Purity
≥95%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
224.0267868 g/mol
Monoisotopic Mass
224.0267868 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
204
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
