| CAS Number | 2096337-78-7 |
| Catalog Number | AG01EHMP |
| Chemical Name | 2-(1-BOC-Pyrrolidin-3-yloxy)pyrimidine-5-boronic acid |
| IUPAC Name | [2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyrimidin-5-yl]boronic acid |
| InChI | InChI=1S/C13H20BN3O5/c1-13(2,3)22-12(18)17-5-4-10(8-17)21-11-15-6-9(7-16-11)14(19)20/h6-7,10,19-20H,4-5,8H2,1-3H3 |
| InChI Key | AITHNJSHQLUWRP-UHFFFAOYSA-N |
| MDL Number | MFCD11877767 |
| Molecular Formula | C13H20BN3O5 |
| Molecular Weight | 309.1260 |
| SMILES | O=C(N1CCC(C1)Oc1ncc(cn1)B(O)O)OC(C)(C)C |
| Synonyms | 2-(1-BOC-Pyrrolidin-3-yloxy)pyrimidine-5-boronic acid,
2096337-78-7,
(2-((1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)oxy)pyrimidin-5-yl)boronic acid,
C13H20BN3O5,
MFCD11877767,
Y2131,
B-9618,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.129g/mol |
| Monoisotopic Mass | 309.15g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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