4-Cyano-3-fluorophenylboronic acid
Product Information
Molecular Formula
C7H5BFNO2
Molecular Weight
164.93
Description
4-Cyano-3-fluorophenylboronic acid shows good research prospects in combating specific malignant tumors and neurological diseases. It can skillfully act on specific targets and appropriately regulate complex cellular pathways.
Synonyms
(4-cyano-3-fluorophenyl)boronic acid; 4-cyano-3-fluorobenzeneboronic acid; 4-Borono-2-fluorobenzonitrile; 4-Cyano-3-FluorophenylboronicAcid; 4-cyano-3-fluoro phenyl boronic acid; Boronic acid, (4-cyano-3-fluorophenyl)-; (4-cyano-3-fluoro-phenyl)boronic Acid; 3-fluoro-4-cyano-phenylboronic acid; 3-fluoro-4-cyanophenyl boronic acid; 4-cyano-3-fluoro phenylboronic acid; 4-cyano-3-fluoro-phenylboronic acid; 4-cyano-3-fluorophenyl boronic acid; 4-Cyano-3-fluorophenylboronic acid
IUPAC Name
(4-cyano-3-fluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C#N)F)(O)O
InChI
InChI=1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
InChI Key
DECWLXUOZUMPBF-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
1
Exact Mass
165.0397367 g/mol
Monoisotopic Mass
165.0397367 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
203
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-2022054335-A1 | Photocatalyst complex | 2020-09-11 |
| JP-2022038301-A | Solid composition and its production method | 2020-08-26 |
| WO-2022044422-A1 | Solid composition and method for producing same | 2020-08-26 |
| WO-2021235024-A1 | Composition and method for producing same | 2020-05-21 |
| WO-2021235025-A1 | Composition and method for producing same | 2020-05-21 |
| CN-111320575-A | Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof | 2020-04-08 |
| WO-2020113094-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 2018-11-30 |
| US-2020239433-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 2018-11-30 |
| AU-2019387370-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 2018-11-30 |
| CA-3121202-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 2018-11-30 |
