| CAS Number | 2096333-95-6 |
| Catalog Number | AG01EHJR |
| Chemical Name | 2-(Methanesulfonyl(N-methoxymethyl)amino)pyrimidine-5-boronic acid, pinacol ester |
| IUPAC Name | N-(methoxymethyl)-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide |
| InChI | InChI=1S/C13H22BN3O5S/c1-12(2)13(3,4)22-14(21-12)10-7-15-11(16-8-10)17(9-20-5)23(6,18)19/h7-8H,9H2,1-6H3 |
| InChI Key | HTMIEBLRKYILPI-UHFFFAOYSA-N |
| MDL Number | MFCD19684127 |
| Molecular Formula | C13H22BN3O5S |
| Molecular Weight | 343.2069 |
| SMILES | COCN(C1=NC=C(B2OC(C)(C)C(C)(C)O2)C=N1)S(=O)(C)=O |
| Synonyms | 2-(Methanesulfonyl(N-methoxymethyl)amino)pyrimidine-5-boronic acid, pinacol ester,
2096333-95-6,
N-(Methoxymethyl)-N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)methanesulfonamide,
ZINC169955869,
A-2733,
N/A,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.137322g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.2g/mol |
| Monoisotopic Mass | 343.137322g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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