| CAS Number | 2056919-60-7 |
| Catalog Number | AG01FNS8(AGN-PC-3H4BJ3) |
| Chemical Name | N-(pentan-3-yl)-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N-pentan-3-yl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C19H30BNO4/c1-7-15(8-2)21-17(22)13-23-16-11-9-10-14(12-16)20-24-18(3,4)19(5,6)25-20/h9-12,15H,7-8,13H2,1-6H3,(H,21,22) |
| InChI Key | TWDUITYIHIBWNJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206501 |
| Molecular Formula | C19H30BNO4 |
| Molecular Weight | 347.2568 |
| SMILES | CC(O1)(C)C(C)(C)OB1C2=CC=CC(OCC(NC(CC)CC)=O)=C2 |
| Synonyms | AS-73942,
N-(pentan-3-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
2056919-60-7,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.226789g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.3g/mol |
| Monoisotopic Mass | 347.226789g/mol |
| Rotatable Bond Count | 7 |
| 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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