| CAS Number | 1402240-42-9 |
| Catalog Number | AG009WV4(AGN-PC-0WA55W) |
| Chemical Name | 2-(4-Methylimidazol-1-yl)pyrimidine-5-boronic acid, pinacol ester |
| IUPAC Name | 2-(4-methylimidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI | InChI=1S/C14H19BN4O2/c1-10-8-19(9-18-10)12-16-6-11(7-17-12)15-20-13(2,3)14(4,5)21-15/h6-9H,1-5H3 |
| InChI Key | KTJPJCJXCLRXJL-UHFFFAOYSA-N |
| MDL Number | MFCD16618881 |
| Molecular Formula | C14H19BN4O2 |
| Molecular Weight | 286.1373 |
| SMILES | Cc1ncn(c1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1402240-42-9,
2-(4-Methylimidazol-1-yl)pyrimidine-5-boronic acid, pinacol ester,
2-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE,
2-(4-Methylimidazol-1-yl)pyrimidine-5-boronic acid pinacol ester,
C14H19BN4O2,
KM3789,
MFCD16618881,
AKOS015941901,
ZINC169964874,
V3049,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.142g/mol |
| Monoisotopic Mass | 286.16g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number