(3-ethoxy-5-fluorophenyl)boronic acid
Product Information
Molecular Formula
C8H10BFO3
Molecular Weight
183.97
Description
3-Ethoxy-5-Fluorophenyl Boronic Acid is a biomedical and pharmaceutical compound that is critical in drug synthesis specific to oncology. Its quintessential role in molecule discovery enriches the therapeutic arsenal combating tumors of varied nature by magnifying treatment efficacy.
Synonyms
(3-ethoxy-5-fluorophenyl)boronic acid; 3-Ethoxy-5-fluorobenzeneboronic acid; Boronic acid,B-(3-ethoxy-5-fluorophenyl)-; (3-ethoxy-5-fluorophenyl)boronicacid; 3-ethoxy-5-fluoro-benzeneboronic acid; (3-Ethoxy-5-fluoro-phenyl)boronic acid; (3-ethoxy-5-fluorophenyl)boronic acid; A841145; 3-Ethoxy-5-fluorophenylboronic Acid (contains varying amounts of Anhydride)
IUPAC Name
(3-ethoxy-5-fluorophenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)F)OCC)(O)O
InChI
InChI=1S/C8H10BFO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5,11-12H,2H2,1H3
InChI Key
OVVBLFYHZAMJIK-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
184.0707025 g/mol
Monoisotopic Mass
184.0707025 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
156
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 |
|---|---|---|
| WO-2021047406-A1 | Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 2019-09-10 |
| CN-114096533-A | Tricyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 2019-09-10 |
| AU-2017346453-A1 | Pharmaceutical compounds | 2016-10-18 |
| CA-3039641-A1 | Pharmaceutical compounds | 2016-10-18 |
| EP-3529248-A1 | Pharmaceutical compounds | 2016-10-18 |
| JP-2019537571-A | Pharmaceutical compounds | 2016-10-18 |
| US-10696666-B2 | Pharmaceutical compounds | 2016-10-18 |
| US-2019375740-A1 | Pharmaceutical compounds | 2016-10-18 |
| WO-2018073586-A1 | Pharmaceutical compounds | 2016-10-18 |
| EP-3529248-B1 | Pharmaceutical compounds | 2016-10-18 |
