| CAS Number | 1386860-56-5 |
| Catalog Number | AG00HVBC(AGN-PC-0WRA4X) |
| Chemical Name | 1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine |
| IUPAC Name | [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C18H26BNO3/c1-13-12-14(16(21)20-10-6-7-11-20)8-9-15(13)19-22-17(2,3)18(4,5)23-19/h8-9,12H,6-7,10-11H2,1-5H3 |
| InChI Key | BGHSUBKESHIKCN-UHFFFAOYSA-N |
| MDL Number | MFCD24039629 |
| Molecular Formula | C18H26BNO3 |
| Molecular Weight | 315.2149 |
| SMILES | O=C(c1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C)N1CCCC1 |
| Synonyms | 1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine,
1386860-56-5,
SCHEMBL10325775,
ZINC170004179,
A1-12472,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.22g/mol |
| Monoisotopic Mass | 315.201g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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