| CAS Number | 1424265-36-0 |
| Catalog Number | AG01FQ0V(AGN-PC-3H5P7E) |
| Chemical Name | Benzamide, 3,4,5-trimethoxy-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 3,4,5-trimethoxy-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C22H28BNO6/c1-21(2)22(3,4)30-23(29-21)15-9-8-10-16(13-15)24-20(25)14-11-17(26-5)19(28-7)18(12-14)27-6/h8-13H,1-7H3,(H,24,25) |
| InChI Key | DKCHHIYVMPBTGC-UHFFFAOYSA-N |
| MDL Number | MFCD32206513 |
| Molecular Formula | C22H28BNO6 |
| Molecular Weight | 413.2718 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC(OC)=C(OC)C(OC)=C3 |
| Synonyms | AS-74135,
3,4,5-trimethoxy-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
1424265-36-0,
|
| Complexity | 570 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.200968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.3g/mol |
| Monoisotopic Mass | 413.200968g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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