(3-ethoxy-5-fluorophenyl)boronic acid

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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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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