3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBOR&
Product Information
Molecular Formula
C13H11BBrFO3
Molecular Weight
324.94
Description
3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBORANE, a highly versatile compound, plays a critical role in the realm of biomedicine. This paramount reagent not only facilitates the synthesis of pharmaceutical compounds but also enables their modification. Its wide-ranging applications extend to combatting diverse ailments such as cancer, inflammation, and infectious diseases.
Synonyms
3-Bromo-2-(4'-fluorobenzyloxy)phenylboronic acid; (3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronic acid; [3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid; 3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBOR&; {3-Bromo-2-[(4-fluorophenyl)methoxy]phenyl}boronic acid; (3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronicacid
IUPAC Name
[3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=C(C(=CC=C1)Br)OCC2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C13H11BBrFO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7,17-18H,8H2
InChI Key
FAGFWOJETYFVAS-UHFFFAOYSA-N
Melting Point
105-110 °C (lit.)
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
323.99687 g/mol
Monoisotopic Mass
323.99687 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
275
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
