| CAS Number | 2057448-75-4 |
| Catalog Number | AG01FNSC(AGN-PC-3H4BI6) |
| Chemical Name | N-phenyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)15-9-8-12-17(13-15)24-14-18(23)22-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3,(H,22,23) |
| InChI Key | LYJNDLVVVDJDFC-UHFFFAOYSA-N |
| MDL Number | MFCD32206458 |
| Molecular Formula | C20H24BNO4 |
| Molecular Weight | 353.2199 |
| SMILES | O=C(NC1=CC=CC=C1)COC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | AS-73337,
N-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
2057448-75-4,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.179838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.2g/mol |
| Monoisotopic Mass | 353.179838g/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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