3-(Ethylsulfonyl)phenylboronic Acid Pinacol Ester - CAS 2096331-73-4
Catalog: |
BB016462 |
Product Name: |
3-(Ethylsulfonyl)phenylboronic Acid Pinacol Ester |
CAS: |
2096331-73-4 |
Synonyms: |
2-(3-ethylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(3-ethylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(3-ethylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-(Ethylsulfonyl)phenylboronic Acid Pinacol Ester (CAS# 2096331-73-4 ) is a useful research chemical. |
Molecular Weight: | 296.19 |
Molecular Formula: | C14H21O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)CC |
InChI: | InChI=1S/C14H21BO4S/c1-6-20(16,17)12-9-7-8-11(10-12)15-18-13(2,3)14(4,5)19-15/h7-10H,6H2,1-5H3 |
InChI Key: | CBOADIUKJNYYPC-UHFFFAOYSA-N |
LogP: | 2.86020 |
Publication Number | Title | Priority Date |
AU-2012302197-A1 | Heterocyclic compounds and uses thereof | 20110829 |
AU-2012302197-B2 | Heterocyclic compounds and uses thereof | 20110829 |
AU-2016202158-A1 | Heterocyclic compounds and uses thereof | 20110829 |
CN-103998442-B | Heterocyclic compound and application thereof | 20110829 |
US-2013053362-A1 | Heterocyclic compounds and uses thereof | 20110829 |
Complexity: | 436 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.1253605 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.1253605 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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