3-Fluoro-5-(trifluoromethyl)benzeneboronic Acid
Product Information
Molecular Formula
C7H5F4O2B
Molecular Weight
207.92
Description
3-Fluoro-5-(trifluoromethyl)benzeneboronic Acid (CAS# 159020-59-4) is a useful research chemical.
Synonyms
[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid; [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
IUPAC Name
[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC(=C1)F)C(F)(F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChI Key
WEMCWZGCSRGJGW-UHFFFAOYSA-N
Boiling Point
264 °C at 760 mmHg
Flash Point
Not applicable
Density
1.44 g/cm3
LogP
0.52430
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
208.0318722 g/mol
Monoisotopic Mass
208.0318722 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
197
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 |
|---|---|---|
| CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| TW-202124380-A | Therapeutic and preventive agents for functional gastrointestinal disorders and xerostomia | 2019-11-13 |
| WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 2019-06-14 |
| US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 2019-06-14 |
| TW-202115054-A | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 2019-06-14 |
| CA-3143276-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 2019-06-14 |
| CN-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 2019-06-14 |
| US-2021053917-A1 | Novel thyromimetics | 2019-03-01 |
| WO-2020180624-A1 | Novel thyromimetics | 2019-03-01 |
