| CAS Number | 2096338-10-0 |
| Catalog Number | AG01EHF6 |
| Chemical Name | 2-[N-(Methoxymethyl)methanesulfonamido]pyrimidine-5-boronic acid |
| IUPAC Name | [2-[methoxymethyl(methylsulfonyl)amino]pyrimidin-5-yl]boronic acid |
| InChI | InChI=1S/C7H12BN3O5S/c1-16-5-11(17(2,14)15)7-9-3-6(4-10-7)8(12)13/h3-4,12-13H,5H2,1-2H3 |
| InChI Key | RYRQEIDSFOYTPH-UHFFFAOYSA-N |
| MDL Number | MFCD18334806 |
| Molecular Formula | C7H12BN3O5S |
| Molecular Weight | 261.0633 |
| SMILES | COCN(S(=O)(=O)C)c1ncc(cn1)B(O)O |
| Synonyms | 2-[N-(Methoxymethyl)methanesulfonamido]pyrimidine-5-boronic acid,
2096338-10-0,
(2-(N-(Methoxymethyl)methylsulfonamido)pyrimidin-5-yl)boronic acid,
C7H12BN3O5S,
MFCD19237162,
AKOS027364296,
ZINC169951551,
Y2249,
A-2759,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.059g/mol |
| Monoisotopic Mass | 261.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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