2-(Ethanesulfonyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - CAS 1449010-00-7
Catalog: |
BB056052 |
Product Name: |
2-(Ethanesulfonyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
CAS: |
1449010-00-7 |
Synonyms: |
2-(Ethanesulfonyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-(Ethylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-ethylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-ethylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Molecular Weight: | 297.18 |
Molecular Formula: | C13H20BNO4S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)S(=O)(=O)CC |
InChI: | InChI=1S/C13H20BNO4S/c1-6-20(16,17)11-8-7-10(9-15-11)14-18-12(2,3)13(4,5)19-14/h7-9H,6H2,1-5H3 |
InChI Key: | QOLFEWVIPJFAPE-UHFFFAOYSA-N |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.1206095 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.1206095 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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