| CAS Number | 2246657-11-2 |
| Catalog Number | AG00QIRN(AGN-PC-3H4G28) |
| Chemical Name | N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| IUPAC Name | N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| InChI | InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)13-10-5-6-11-14(13)19-15(20)12-8-7-9-12/h5-6,10-12H,7-9H2,1-4H3,(H,19,20) |
| InChI Key | SBMAVWJSKXJEKP-UHFFFAOYSA-N |
| MDL Number | MFCD32206426 |
| Molecular Formula | C17H24BNO3 |
| Molecular Weight | 301.1884 |
| SMILES | O=C(C1CCC1)NC2=CC=CC=C2B3OC(C)(C)C(C)(C)O3 |
| Synonyms | AS-72762,
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide,
2246657-11-2,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.184924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.2g/mol |
| Monoisotopic Mass | 301.184924g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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