3-Ethylphenylboronic Acid
Product Information
Molecular Formula
C8H11O2B
Molecular Weight
149.98
Description
3-Ethylphenylboronic Acid (CAS# 90555-65-0) is a useful research chemical.
Synonyms
(3-ethylphenyl)boronic acid; (3-ethylphenyl)boronic acid
IUPAC Name
(3-ethylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)CC)(O)O
InChI
InChI=1S/C8H11BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
JIMVRUCDZGFJRE-UHFFFAOYSA-N
Boiling Point
299.6 °C at 760 mmHg
Flash Point
Not applicable
Density
1.07 g/cm3
Appearance
Solid
LogP
-0.07120
Safety Information
Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
150.0852098 g/mol
Monoisotopic Mass
150.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
117
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-2022015979-A1 | Compounds and compositions for treating conditions associated with sting activity | 2020-07-15 |
| JP-2022022902-A | Compound with fluorene skeleton | 2020-07-10 |
| WO-2020244462-A1 | Indole derivatives and pharmaceutical use thereof | 2019-06-03 |
| US-2021053917-A1 | Novel thyromimetics | 2019-03-01 |
| WO-2020180624-A1 | Novel thyromimetics | 2019-03-01 |
| CA-3130371-A1 | Novel thyromimetics | 2019-03-01 |
| AU-2020232205-A1 | Novel thyromimetics | 2019-03-01 |
| CN-113784950-A | Novel thyromimetic agents | 2019-03-01 |
| EP-3931180-A1 | Novel thyromimetics | 2019-03-01 |
| WO-2020050409-A1 | Heterocyclic compound | 2018-09-07 |
