| CAS Number | 2057448-33-4 |
| Catalog Number | AG01FNN8(AGN-PC-3H4BG9) |
| Chemical Name | N-propyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N-propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C17H26BNO4/c1-6-10-19-15(20)12-21-14-9-7-8-13(11-14)18-22-16(2,3)17(4,5)23-18/h7-9,11H,6,10,12H2,1-5H3,(H,19,20) |
| InChI Key | SRQNEQQLIUOFBH-UHFFFAOYSA-N |
| MDL Number | MFCD32206456 |
| Molecular Formula | C17H26BNO4 |
| Molecular Weight | 319.2036 |
| SMILES | O=C(NCCC)COC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | AS-73335,
N-propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
2057448-33-4,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.195489g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.2g/mol |
| Monoisotopic Mass | 319.195489g/mol |
| Rotatable Bond Count | 6 |
| 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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