2-chloro-3-fluorophenylboronic acid
Product Information
Molecular Formula
C6H5BClFO2
Molecular Weight
174.37
Description
2-chloro-3-fluorophenylboronic acid is a chemical reagent commonly used in biomedicine. It acts as a pivotal intermediate in the synthesis of various pharmaceutical compounds. Specifically, it has notable applications in the formulation of antipsychotic drugs to treat mental health conditions.
Synonyms
(2-chloro-3-fluorophenyl)boronic acid; MFCD07363741; 2-CHLORO-3-FLUOROBENZENEBORONIC ACID; 4-Amino -2-methoxybenzoic acid; DTXSID30624591; (2-Chloro-3-fluorophenyl)boronicacid; 2-chloro-3-fluoro-phenylboronic acid; 2-chloro-3-fluorophenyl boronic acid; 2-chloro-3-fluoro-benzeneboronic acid; Boronic acid, B-(2-chloro-3-fluorophenyl)-; EN300-317150; 2-chloro-3-fluorophenylboronic acid; (2-chloro-3-fluoro-phenyl)boronic acid; 2-Chloro-3-fluorophenylboronic Acid
IUPAC Name
(2-chloro-3-fluorophenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)F)Cl)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key
TYOGIUGNZOBBHE-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338
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-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021142252-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| AU-2020266529-A1 | 3-amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
| CA-3137584-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| CN-114072393-A | 3-amino-4H-benzo [ E ] [1,2,4] thiadiazine 1, 1-dioxide derivatives as MRGX2 inhibitors | 2019-04-29 |
| EP-3962901-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| KR-20220012244-A | 3-Amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
