| CAS Number | 2096332-54-4 |
| Catalog Number | AG01EHDK |
| Chemical Name | 1-Isobutylpyrazole-3,5-diboronic acid, pinacol ester |
| IUPAC Name | 1-(2-methylpropyl)-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C19H34B2N2O4/c1-13(2)12-23-15(21-26-18(7,8)19(9,10)27-21)11-14(22-23)20-24-16(3,4)17(5,6)25-20/h11,13H,12H2,1-10H3 |
| InChI Key | YUFPPTYKTBOUBT-UHFFFAOYSA-N |
| MDL Number | MFCD19237224 |
| Molecular Formula | C19H34B2N2O4 |
| Molecular Weight | 376.1063 |
| SMILES | CC(Cn1nc(cc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)C |
| Synonyms | 1-Isobutylpyrazole-3,5-diboronic acid, pinacol ester,
2096332-54-4,
1-isobutyl-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
MFCD19237224,
ZINC169951949,
A-2828,
N/A,
na,
|
| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.27g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.111g/mol |
| Monoisotopic Mass | 376.27g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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