| CAS Number | 874301-84-5 |
| Catalog Number | AG01FNWT(AGN-PC-3H5NJN) |
| Chemical Name | 1-(4-methoxybenzyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]-3-[3-(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)16-7-6-8-17(13-16)24-19(25)23-14-15-9-11-18(26-5)12-10-15/h6-13H,14H2,1-5H3,(H2,23,24,25) |
| InChI Key | MSIRZKYLPHRZGQ-UHFFFAOYSA-N |
| MDL Number | MFCD22494689 |
| Molecular Formula | C21H27BN2O4 |
| Molecular Weight | 382.2611 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC=CC(NC(NCC3=CC=C(OC)C=C3)=O)=C2 |
| Synonyms | AS-73793,
3-[(4-methoxyphenyl)methyl]-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
874301-84-5,
|
| Complexity | 519 |
| 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
Lot Number