2-(1H-Imidazol-1-yl)pyrimidine-5-boronic Acid Pinacol Ester - CAS 1160790-26-0
Catalog: |
BB063660 |
Product Name: |
2-(1H-Imidazol-1-yl)pyrimidine-5-boronic Acid Pinacol Ester |
CAS: |
1160790-26-0 |
Synonyms: |
2-(1H-Imidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
IUPAC Name: | 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
Description: | 2-(1H-Imidazol-1-yl)pyrimidine-5-boronic acid, pinacol ester |
Molecular Weight: | 272.11 |
Molecular Formula: | C13H17BN4O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3C=CN=C3 |
InChI: | InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-16-11(17-8-10)18-6-5-15-9-18/h5-9H,1-4H3 |
InChI Key: | BCWMEGZPVCVYPQ-UHFFFAOYSA-N |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.144456 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.144456 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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