| CAS Number | 2096332-26-0 |
| Catalog Number | AG01EHBO |
| Chemical Name | 1-Butyl-1H-pyrazole-5-boronic acid, pinacol ester |
| IUPAC Name | 1-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C13H23BN2O2/c1-6-7-10-16-11(8-9-15-16)14-17-12(2,3)13(4,5)18-14/h8-9H,6-7,10H2,1-5H3 |
| InChI Key | PCSBMYSFIFPKOB-UHFFFAOYSA-N |
| MDL Number | MFCD21333036 |
| Molecular Formula | C13H23BN2O2 |
| Molecular Weight | 250.1449 |
| SMILES | CCCCN1C(B2OC(C)(C)C(C)(C)O2)=CC=N1 |
| Synonyms | 1-Butyl-1H-pyrazole-5-boronic acid, pinacol ester,
2096332-26-0,
1-Butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
MFCD21333036,
ZINC169965040,
B-8883,
N/A,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.149g/mol |
| Monoisotopic Mass | 250.185g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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