3-Hydroxy-4-methylphenylboronic Acid Pinacol Ester - CAS 331273-58-6
Catalog: |
BB021571 |
Product Name: |
3-Hydroxy-4-methylphenylboronic Acid Pinacol Ester |
CAS: |
331273-58-6 |
Synonyms: |
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
IUPAC Name: | 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 3-Hydroxy-4-methylphenylboronic Acid Pinacol Ester (CAS# 331273-58-6) is a useful research chemical. |
Molecular Weight: | 234.10 |
Molecular Formula: | C13H19O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)O |
InChI: | InChI=1S/C13H19BO3/c1-9-6-7-10(8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3 |
InChI Key: | WUHMOCPMZNQLGY-UHFFFAOYSA-N |
LogP: | 1.99980 |
Publication Number | Title | Priority Date |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
CN-111094300-A | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 20180131 |
WO-2019149205-A1 | Benzoheteroaryl derivative and preparation method and medical application thereof | 20180131 |
AU-2016280235-A1 | Nrf2 regulators | 20150615 |
EP-3307719-A1 | Nrf2 regulators | 20150615 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.1427246 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.1427246 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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