| CAS Number | 2246802-84-4 |
| Catalog Number | AG00UIZ2(AGN-PC-3H45A8) |
| Chemical Name | 1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(propan-2-yl)urea |
| IUPAC Name | 1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-propan-2-ylurea |
| InChI | InChI=1S/C17H27BN2O3/c1-11(2)19-15(21)20-14-9-8-13(10-12(14)3)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H2,19,20,21) |
| InChI Key | MKLHYNOHYSTGHI-UHFFFAOYSA-N |
| MDL Number | MFCD32206476 |
| Molecular Formula | C17H27BN2O3 |
| Molecular Weight | 318.2189 |
| SMILES | C(C)(C)NC(=O)NC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)C |
| Synonyms | AS-73526,
1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(propan-2-yl)urea,
2246802-84-4,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.211473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.2g/mol |
| Monoisotopic Mass | 318.211473g/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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