4-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1799974-98-3
Catalog: |
BB013634 |
Product Name: |
4-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1799974-98-3 |
Synonyms: |
[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 4-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1799974-98-3 ) is a useful research chemical. |
Molecular Weight: | 268.54 |
Molecular Formula: | C13H18ClO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)CO |
InChI: | InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7,16H,8H2,1-4H3 |
InChI Key: | PSSMJUJQLCKZAW-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2020055874-A1 | INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION | 20180820 |
WO-2020041169-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
TW-202021594-A | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
US-10947252-B2 | Inhibitors of KEAP1-Nrf2 protein-protein interaction | 20180820 |
EP-3833662-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.1037523 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.1037523 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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