| CAS Number | 2056919-55-0 |
| Catalog Number | AG01FNNU(AGN-PC-3H4BGG) |
| Chemical Name | Acetamide, N-(1,1-dimethylethyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]- |
| IUPAC Name | N-tert-butyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C18H28BNO4/c1-16(2,3)20-15(21)12-22-14-10-8-9-13(11-14)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21) |
| InChI Key | HSMMSYYDKPSMIF-UHFFFAOYSA-N |
| MDL Number | MFCD32206548 |
| Molecular Formula | C18H28BNO4 |
| Molecular Weight | 333.2302 |
| SMILES | CC(C)(C)NC(COC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | AS-74452,
N-tert-butyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
2056919-55-0,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.211139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.2g/mol |
| Monoisotopic Mass | 333.211139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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