| CAS Number | 2045409-68-3 |
| Catalog Number | AG01FPTI(AGN-PC-3H5P5B) |
| Chemical Name | N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-phenylacetamide |
| IUPAC Name | N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylacetamide |
| InChI | InChI=1S/C21H26BNO4/c1-20(2)21(3,4)27-22(26-20)16-11-12-17(18(14-16)25-5)23-19(24)13-15-9-7-6-8-10-15/h6-12,14H,13H2,1-5H3,(H,23,24) |
| InChI Key | NPFZADXWHWGTED-UHFFFAOYSA-N |
| MDL Number | MFCD32206525 |
| Molecular Formula | C21H26BNO4 |
| Molecular Weight | 367.2464 |
| SMILES | O=C(CC1=CC=CC=C1)NC2=C(OC)C=C(B3OC(C)(C)C(C)(C)O3)C=C2 |
| Synonyms | AS-74074,
N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylacetamide,
2045409-68-3,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.195489g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.2g/mol |
| Monoisotopic Mass | 367.195489g/mol |
| Rotatable Bond Count | 5 |
| 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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