| CAS Number | 2071741-37-0 |
| Catalog Number | AG01FPKY(AGN-PC-3H5P0F) |
| Chemical Name | Benzamide, N,N-diethyl-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | N,N-diethyl-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C17H25BFNO3/c1-7-20(8-2)15(21)12-9-10-13(14(19)11-12)18-22-16(3,4)17(5,6)23-18/h9-11H,7-8H2,1-6H3 |
| InChI Key | AXTSXMHVDKFCCF-UHFFFAOYSA-N |
| MDL Number | MFCD32206485 |
| Molecular Formula | C17H25BFNO3 |
| Molecular Weight | 321.1947 |
| SMILES | FC1=CC(C(N(CC)CC)=O)=CC=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | AS-73716,
N,N-diethyl-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
2071741-37-0,
|
| Complexity | 424 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.2g/mol |
| Monoisotopic Mass | 321.191152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8Ų |
| 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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