| CAS Number | 2246551-83-5 |
| Catalog Number | AG01FPPQ(AGN-PC-3H5P29) |
| Chemical Name | 1,1-diethyl-3-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1,1-diethyl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C17H26BFN2O3/c1-7-21(8-2)15(22)20-14-10-9-12(11-13(14)19)18-23-16(3,4)17(5,6)24-18/h9-11H,7-8H2,1-6H3,(H,20,22) |
| InChI Key | NBIMERSBNJVAMW-UHFFFAOYSA-N |
| MDL Number | MFCD32202741 |
| Molecular Formula | C17H26BFN2O3 |
| Molecular Weight | 336.2093 |
| SMILES | FC1=C(NC(N(CC)CC)=O)C=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 3,3-Diethyl-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2246551-83-5,
AS-73874,
A1-23070,
|
| Complexity | 441 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.2g/mol |
| Monoisotopic Mass | 336.202051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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