3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1051316-34-7
Catalog: |
BB001560 |
Product Name: |
3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1051316-34-7 |
Synonyms: |
[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1051316-34-7) 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)CO)Cl |
InChI: | InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7,16H,8H2,1-4H3 |
InChI Key: | BLQXWYINFTVLEL-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020039027-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
AU-2007272783-A1 | Fused heterocyclic derivatives and methods of use | 20060714 |
AU-2007272783-B2 | Fused heterocyclic derivatives and methods of use | 20060714 |
CA-2657327-A1 | Fused heterocyclic derivatives and methods of use | 20060714 |
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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