| CAS Number | 2246875-71-6 |
| Catalog Number | AG00QIIL(AGN-PC-3H459O) |
| Chemical Name | N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide |
| IUPAC Name | N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide |
| InChI | InChI=1S/C16H23BFNO3/c1-10(2)14(20)19-11-7-8-12(13(18)9-11)17-21-15(3,4)16(5,6)22-17/h7-10H,1-6H3,(H,19,20) |
| InChI Key | BSEMZOLRQMZJDN-UHFFFAOYSA-N |
| MDL Number | MFCD31916410 |
| Molecular Formula | C16H23BFNO3 |
| Molecular Weight | 307.1681 |
| SMILES | CC(C)C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1)=O |
| Synonyms | 2246875-71-6,
AS-55384,
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide,
N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.172g/mol |
| Monoisotopic Mass | 307.176g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number