| CAS Number | 1704122-04-2 |
| Catalog Number | AG00ARSB(AGN-PC-0WCTR2) |
| Chemical Name | N-Isopropyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N-propan-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C17H26BNO4/c1-12(2)19-15(20)11-21-14-9-7-13(8-10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H,19,20) |
| InChI Key | UKZJANAMCBGQII-UHFFFAOYSA-N |
| MDL Number | MFCD28952842 |
| Molecular Formula | C17H26BNO4 |
| Molecular Weight | 319.2036 |
| SMILES | CC(C)NC(COC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | 1704122-04-2,
N-isopropyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide,
MFCD28952842,
ZINC396143157,
AS-55346,
N-(propan-2-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.208g/mol |
| Monoisotopic Mass | 319.195g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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