| CAS Number | 2246583-62-8 |
| Catalog Number | AG00RO52(AGN-PC-3H4G33) |
| Chemical Name | 1-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylurea |
| IUPAC Name | 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylurea |
| InChI | InChI=1S/C14H20BFN2O3/c1-13(2)14(3,4)21-15(20-13)9-6-7-11(10(16)8-9)18-12(19)17-5/h6-8H,1-5H3,(H2,17,18,19) |
| InChI Key | PWBPOPXWIJGQCK-UHFFFAOYSA-N |
| MDL Number | MFCD11848778 |
| Molecular Formula | C14H20BFN2O3 |
| Molecular Weight | 294.1296 |
| SMILES | FC1=C(NC(NC)=O)C=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | AS-72765,
1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylurea,
2246583-62-8,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.155101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.13g/mol |
| Monoisotopic Mass | 294.155101g/mol |
| Rotatable Bond Count | 2 |
| 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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