| CAS Number | 2246852-97-9 |
| Catalog Number | AG01FRIL(AGN-PC-3H5PN8) |
| Chemical Name | 1-benzyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-benzyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C21H27BN2O4/c1-20(2)21(3,4)28-22(27-20)16-11-12-17(18(13-16)26-5)24-19(25)23-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3,(H2,23,24,25) |
| InChI Key | PFZSJYZWRLAZAY-UHFFFAOYSA-N |
| MDL Number | MFCD32206487 |
| Molecular Formula | C21H27BN2O4 |
| Molecular Weight | 382.2611 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OC)NCC3=CC=CC=C3 |
| Synonyms | AS-73719,
1-benzyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2246852-97-9,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.206388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.3g/mol |
| Monoisotopic Mass | 382.206388g/mol |
| Rotatable Bond Count | 5 |
| 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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