| CAS Number | 2246563-75-5 |
| Catalog Number | AG00SIM0(AGN-PC-3H4G3N) |
| Chemical Name | 3-methyl-N-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide |
| IUPAC Name | 3-methyl-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide |
| InChI | InChI=1S/C18H28BNO3/c1-12(2)10-16(21)20-15-9-8-14(11-13(15)3)19-22-17(4,5)18(6,7)23-19/h8-9,11-12H,10H2,1-7H3,(H,20,21) |
| InChI Key | HALXBJQLUZKQKW-UHFFFAOYSA-N |
| MDL Number | MFCD32206464 |
| Molecular Formula | C18H28BNO3 |
| Molecular Weight | 317.2308 |
| SMILES | CC(C)CC(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C)=O |
| Synonyms | AS-73435,
3-methyl-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide,
2246563-75-5,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.216224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.2g/mol |
| Monoisotopic Mass | 317.216224g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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