| CAS Number | 2246895-97-4 |
| Catalog Number | AG00RQLT(AGN-PC-3H459K) |
| Chemical Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide |
| IUPAC Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C17H25BFNO3/c1-15(2,3)14(21)20-13-9-8-11(10-12(13)19)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3,(H,20,21) |
| InChI Key | SBMZYZQZGQNMPK-UHFFFAOYSA-N |
| MDL Number | MFCD31916415 |
| Molecular Formula | C17H25BFNO3 |
| Molecular Weight | 321.1947 |
| SMILES | FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)NC(C(C)(C)C)=O |
| Synonyms | 2246895-97-4,
AS-55389,
N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide,
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.199g/mol |
| Monoisotopic Mass | 321.191g/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