| CAS Number | 1914078-77-5 |
| Catalog Number | AG01FRHV(AGN-PC-3H5PMK) |
| Chemical Name | 1-(tert-butyl)-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-tert-butyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C18H29BN2O4/c1-16(2,3)21-15(22)20-13-10-9-12(11-14(13)23-8)19-24-17(4,5)18(6,7)25-19/h9-11H,1-8H3,(H2,20,21,22) |
| InChI Key | PBCBEQUQDKPZMV-UHFFFAOYSA-N |
| MDL Number | MFCD32206514 |
| Molecular Formula | C18H29BN2O4 |
| Molecular Weight | 348.2449 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OC)NC(C)(C)C |
| Synonyms | AS-74136,
3-tert-butyl-1-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1914078-77-5,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.222038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.2g/mol |
| Monoisotopic Mass | 348.222038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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