3-Chloro-5-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1112210-59-9
Catalog: |
BB002741 |
Product Name: |
3-Chloro-5-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1112210-59-9 |
Synonyms: |
[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 3-Chloro-5-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1112210-59-9) is a useful research chemical. |
Molecular Weight: | 268.54 |
Molecular Formula: | C13H18ClO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)CO |
InChI: | InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7,16H,8H2,1-4H3 |
InChI Key: | XGKRASSKANIIOZ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
JP-2010173974-A | Novel uses of pharmaceuticals containing pyridopyrimidin-4-one derivatives | 20090130 |
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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