| CAS Number | 1211366-28-7 |
| Catalog Number | AG01FPPD(AGN-PC-3H5P27) |
| Chemical Name | N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)15-11-12-16(17(13-15)24-5)22-18(23)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,22,23) |
| InChI Key | GSBINHXLGSDZMC-UHFFFAOYSA-N |
| MDL Number | MFCD22494660 |
| Molecular Formula | C20H24BNO4 |
| Molecular Weight | 353.2199 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OC)C3=CC=CC=C3 |
| Synonyms | AS-73339,
N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
N-[2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]benzamide,
1211366-28-7,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.179838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.2g/mol |
| Monoisotopic Mass | 353.179838g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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