| CAS Number | 2246878-24-8 |
| Catalog Number | AG01FQ0O(AGN-PC-3H5P7J) |
| Chemical Name | 1-(tert-butyl)-3-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-tert-butyl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C17H26BFN2O3/c1-15(2,3)21-14(22)20-13-9-8-11(10-12(13)19)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H2,20,21,22) |
| InChI Key | NOSZVJKZSPXOAM-UHFFFAOYSA-N |
| MDL Number | MFCD32206526 |
| Molecular Formula | C17H26BFN2O3 |
| Molecular Weight | 336.2093 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F)NC(C)(C)C |
| Synonyms | AS-74075,
3-tert-butyl-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2246878-24-8,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.202051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.2g/mol |
| Monoisotopic Mass | 336.202051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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