| CAS Number | 2246693-75-2 |
| Catalog Number | AG00RW0B(AGN-PC-3H4G37) |
| Chemical Name | N-[2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| IUPAC Name | N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| InChI | InChI=1S/C17H23BClNO3/c1-16(2)17(3,4)23-18(22-16)12-8-9-13(19)14(10-12)20-15(21)11-6-5-7-11/h8-11H,5-7H2,1-4H3,(H,20,21) |
| InChI Key | DNBSJQVUQTVSJL-UHFFFAOYSA-N |
| MDL Number | MFCD32206484 |
| Molecular Formula | C17H23BClNO3 |
| Molecular Weight | 335.6334 |
| SMILES | O=C(C1CCC1)NC2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2Cl |
| Synonyms | AS-73709,
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide,
2246693-75-2,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.145952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.6g/mol |
| Monoisotopic Mass | 335.145952g/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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