4,5-Difluoro-2-methoxyphenylboronic Acid
Product Information
Molecular Formula
C7H7F2O3B
Molecular Weight
187.94
Description
Contains varying amounts of anhydride.
Synonyms
(4,5-difluoro-2-methoxyphenyl)boronic acid; (4,5-difluoro-2-methoxyphenyl)boronic acid
IUPAC Name
(4,5-difluoro-2-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1OC)F)F)(O)O
InChI
InChI=1S/C7H7BF2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3,11-12H,1H3
InChI Key
ISQCHQGYKNHYGP-UHFFFAOYSA-N
Boiling Point
313.9 °C at 760 mmHg
Melting Point
175-180 °C (lit.)
Density
1.35 g/cm3
LogP
-0.34680
Safety Information
Hazards
H315-H319-H335
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
5
Rotatable Bond Count
2
Exact Mass
188.0456306 g/mol
Monoisotopic Mass
188.0456306 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
170
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-2021115335-A1 | Compound as cyclin-dependent kinase 9 inhibitor and use thereof | 2019-12-09 |
| US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 2018-10-30 |
| WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 2018-10-30 |
| AU-2019373245-A1 | Compounds for inhibition of alpha 4β7 integrin | 2018-10-30 |
| CA-3115830-A1 | Compounds for inhibition of .alpha.4.beta.7 integrin | 2018-10-30 |
| CN-112969504-A | Compounds for inhibiting alpha 4 beta 7 integrins | 2018-10-30 |
| EP-3873605-A1 | Compounds for inhibition of alpha4beta7 integrin | 2018-10-30 |
| KR-20210087960-A | Compounds for Inhibition of Alpha4β7 Integrin | 2018-10-30 |
| AU-2019373245-B2 | Compounds for inhibition of alpha 4β7 integrin | 2018-10-30 |
| JP-2022513401-A | Compounds for inhibition of alpha 4β7 integrin | 2018-10-30 |
