Chromone-6-boronic acid pinacol ester - CAS 928773-42-6
Catalog: |
BB040694 |
Product Name: |
Chromone-6-boronic acid pinacol ester |
CAS: |
928773-42-6 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzopyran-4-one; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-4-one |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-4-one |
Description: | Chromone-6-boronic acid pinacol ester (CAS# 928773-42-6) is a useful research chemical. |
Molecular Weight: | 272.107 |
Molecular Formula: | C15H17BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC=CC3=O |
InChI: | InChI=1S/C15H17BO4/c1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13/h5-9H,1-4H3 |
InChI Key: | MCLPUBULQFSMMG-UHFFFAOYSA-N |
MDL: | MFCD04038748 |
LogP: | 2.09220 |
Publication Number | Title | Priority Date |
AU-2016261031-A1 | Substituted quinoxaline derivatives | 20150513 |
EP-3294729-A1 | Substituted quinoxaline derivatives | 20150513 |
JP-2018515612-A | Substituted quinoxaline derivatives | 20150513 |
US-2018148429-A1 | Substituted quinoxaline derivatives | 20150513 |
WO-2016180536-A1 | Substituted quinoxaline derivatives | 20150513 |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1219892 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1219892 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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