3-Propoxy-2,4,6-trifluorophenylboronic acid
Product Information
Molecular Formula
C9H10BF3O3
Molecular Weight
234.0
Description
3-Propoxy-2,4,6-trifluorophenylboronic acid is an essential compound in biomedicine used for the development of novel drugs targeting various diseases. With its unique structure, 3-Propoxy-2,4,6-trifluorophenylboronic acid demonstrates promising potential in treating cancer, inflammatory disorders, and autoimmune diseases by inhibiting specific biological pathways. Its availability ensures reliable research and advancements in the biomedical industry.
Synonyms
(2,4,6-trifluoro-3-propoxyphenyl)boronic acid; 3-Propoxy-2,4,6-trifluorophenylboronic acid; (2,4,6-Trifluoro-3-propoxyphenyl)boronicacid; 3-Propoxy-2,4,6-trifluorobenzeneboronic acid; B-(2,4,6-Trifluoro-3-propoxy-phenyl)boronic acid; J-519630; [2,4,6-tris(fluoranyl)-3-propoxy-phenyl]boronic acid
IUPAC Name
(2,4,6-trifluoro-3-propoxyphenyl)boronic acid
SMILES
B(C1=C(C(=C(C=C1F)F)OCCC)F)(O)O
InChI
InChI=1S/C9H10BF3O3/c1-2-3-16-9-6(12)4-5(11)7(8(9)13)10(14)15/h4,14-15H,2-3H2,1H3
InChI Key
FRGFAHSCPSYBHI-UHFFFAOYSA-N
Melting Point
123-126 °C
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
234.0675088 g/mol
Monoisotopic Mass
234.0675088 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
220
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
