| CAS Number | 1689511-55-4 |
| Catalog Number | AG01FL75(AGN-PC-3H4B29) |
| Chemical Name | Benzamide, 2-fluoro-N-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 2-fluoro-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C16H23BFNO3/c1-10(2)19-14(20)12-9-11(7-8-13(12)18)17-21-15(3,4)16(5,6)22-17/h7-10H,1-6H3,(H,19,20) |
| InChI Key | GLYOWGRIDYWDQN-UHFFFAOYSA-N |
| MDL Number | MFCD31653840 |
| Molecular Formula | C16H23BFNO3 |
| Molecular Weight | 307.1681 |
| SMILES | CC(C)NC(=O)C1=C(F)C=CC(=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonyms | 2-Fluoro-N-isopropyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
1689511-55-4,
AS-55533,
2-fluoro-N-(propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
Benzamide, 2-fluoro-N-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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