| CAS Number | 2246814-89-9 |
| Catalog Number | AG00RW26(AGN-PC-3H459M) |
| Chemical Name | 3,3-Dimethyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butanamide |
| IUPAC Name | 3,3-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide |
| InChI | InChI=1S/C18H28BNO3/c1-16(2,3)12-15(21)20-14-10-8-9-13(11-14)19-22-17(4,5)18(6,7)23-19/h8-11H,12H2,1-7H3,(H,20,21) |
| InChI Key | SJMWEGGUILWRFM-UHFFFAOYSA-N |
| MDL Number | MFCD31916414 |
| Molecular Formula | C18H28BNO3 |
| Molecular Weight | 317.2308 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC=CC(NC(CC(C)(C)C)=O)=C2 |
| Synonyms | 2246814-89-9,
AS-55388,
3,3-dimethyl-N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide,
3,3-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide,
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| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.236g/mol |
| Monoisotopic Mass | 317.216g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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