{2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid
Product Information
Molecular Formula
C13H10BF3O3
Molecular Weight
282.023
Description
{2,6-difluro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid is an organic compound that embodies a critical role in the formulation of disease managing drugs - predominantly concerning pathological disorders that impinge upon the metabolism and immune system.
Synonyms
(2,6-Difluoro-3-((2-fluorobenzyl)oxy)phenyl)boronic acid; 2,6-Difluoro-3-(2'-fluorobenzyloxy)phenylboronic acid; [2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid; 2,6-Difluoro-3-(2'-fluorobenzyloxy)phen&; {2,6-Difluoro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid; (2,6-Difluoro-3-((2-fluorobenzyl)oxy)phenyl)boronicacid;
IUPAC Name
[2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2F)F)(O)O
InChI
InChI=1S/C13H10BF3O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2
InChI Key
FZRDUMLPMRLTOK-UHFFFAOYSA-N
Melting Point
120-124 °C
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
282.0675088 g/mol
Monoisotopic Mass
282.0675088 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
309
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-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
