| CAS Number | 2057448-28-7 |
| Catalog Number | AG01DTQ9 |
| Chemical Name | 1-Morpholino-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethan-1-one |
| IUPAC Name | 1-morpholin-4-yl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone |
| InChI | InChI=1S/C18H26BNO5/c1-17(2)18(3,4)25-19(24-17)14-6-5-7-15(12-14)23-13-16(21)20-8-10-22-11-9-20/h5-7,12H,8-11,13H2,1-4H3 |
| InChI Key | IFJNZSWVCRTBHO-UHFFFAOYSA-N |
| MDL Number | MFCD31916116 |
| Molecular Formula | C18H26BNO5 |
| Molecular Weight | 347.2137 |
| SMILES | O1CCN(CC1)C(COC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | 2057448-28-7,
AS-55418,
1-morpholino-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethan-1-one,
1-(morpholin-4-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethan-1-one,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.218g/mol |
| Monoisotopic Mass | 347.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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