2-Chloro-6-fluorophenylboronic Acid
Product Information
Molecular Formula
C6H5ClFO2B
Molecular Weight
174.37
Description
Reactant for: Suzuki coupling; Preparation of cellular checkpoint kinase Wee1 binding affectors.
Synonyms
(2-chloro-6-fluorophenyl)boronic acid; (2-chloro-6-fluorophenyl)boronic acid
IUPAC Name
(2-chloro-6-fluorophenyl)boronic acid
SMILES
B(C1=C(C=CC=C1Cl)F)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key
NXSZSZJWZVLHAY-UHFFFAOYSA-N
Boiling Point
299.8 °C at 760 mmHg
Melting Point
131-135 °C (lit.)
Density
1.41 g/cm3
LogP
0.15890
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
174.0055154 g/mol
Monoisotopic Mass
174.0055154 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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-2022032484-A1 | Pyridazine-3-formamide compound, and preparation method therefor and medical use thereof | 2020-08-11 |
| KR-20220017359-A | Novel compound and organic light emitting device comprising the same | 2020-08-04 |
| KR-20220017369-A | Novel compound and organic light emitting device comprising the same | 2020-08-04 |
| WO-2022031020-A1 | Novel compound and organic light emitting device comprising same | 2020-08-04 |
| WO-2022031028-A1 | Novel compound and organic light emitting device using same | 2020-08-04 |
| WO-2021240424-A1 | Indazole and benzoisoxazole dihydroorotate dehydrogenase inhibitors | 2020-05-29 |
| WO-2021239058-A1 | Fused tricyclic compound, pharmaceutical composition thereof, and use thereof | 2020-05-27 |
| CN-113644223-A | Organic electroluminescent device and polycyclic compound for organic electroluminescent device | 2020-05-11 |
| EP-3909946-A2 | Organic electroluminescence device and polycyclic compound for organic electroluminescence device | 2020-05-11 |
| CN-113563357-A | Compound for organic photoelectric device, composition for organic photoelectric device, and display device | 2020-04-28 |
