| CAS Number | 2246643-10-5 |
| Catalog Number | AG00RW72(AGN-PC-3H4G39) |
| Chemical Name | N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylbutanamide |
| IUPAC Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylbutanamide |
| InChI | InChI=1S/C17H25BFNO3/c1-11(2)9-15(21)20-14-8-7-12(10-13(14)19)18-22-16(3,4)17(5,6)23-18/h7-8,10-11H,9H2,1-6H3,(H,20,21) |
| InChI Key | YGLJCQDVZANFFP-UHFFFAOYSA-N |
| MDL Number | MFCD32206463 |
| Molecular Formula | C17H25BFNO3 |
| Molecular Weight | 321.1947 |
| SMILES | CC(C)CC(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F)=O |
| Synonyms | AS-73434,
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylbutanamide,
2246643-10-5,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.191152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.2g/mol |
| Monoisotopic Mass | 321.191152g/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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