| CAS Number | 1402174-62-2 |
| Catalog Number | AG009EVA(AGN-PC-0WNX74) |
| Chemical Name | 1-BOC-4-Methylpyrazole-3-boronic acid pinacol ester |
| IUPAC Name | tert-butyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate |
| InChI | InChI=1S/C15H25BN2O4/c1-10-9-18(12(19)20-13(2,3)4)17-11(10)16-21-14(5,6)15(7,8)22-16/h9H,1-8H3 |
| InChI Key | LUDMOWSKKZODSJ-UHFFFAOYSA-N |
| MDL Number | MFCD21099686 |
| Molecular Formula | C15H25BN2O4 |
| Molecular Weight | 308.1810 |
| SMILES | Cc1cn(nc1B2OC(C)(C)C(C)(C)O2)C(=O)OC(C)(C)C |
| Synonyms | 1402174-62-2,
tert-Butyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate,
1-BOC-4-Methylpyrazole-3-boronic acid pinacol ester,
AKOS015946898,
ZINC203614798,
LUDMOWSKKZODSJ-UHFFFAOYSA-N,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.185g/mol |
| Monoisotopic Mass | 308.191g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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