| CAS Number | 2096332-45-3 |
| Catalog Number | AG01EHKA |
| Chemical Name | 1-Boc-Oxindole-5-boronic acid, pinacol ester |
| IUPAC Name | tert-butyl 2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole-1-carboxylate |
| InChI | InChI=1S/C19H26BNO5/c1-17(2,3)24-16(23)21-14-9-8-13(10-12(14)11-15(21)22)20-25-18(4,5)19(6,7)26-20/h8-10H,11H2,1-7H3 |
| InChI Key | COBKTUPAYDCBHU-UHFFFAOYSA-N |
| MDL Number | MFCD18783176 |
| Molecular Formula | C19H26BNO5 |
| Molecular Weight | 359.2244 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C |
| Synonyms | 1-Boc-Oxindole-5-boronic acid, pinacol ester,
tert-Butyl 2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indoline-1-carboxylate,
2096332-45-3,
MFCD18783176,
ZINC169935908,
A-3354,
A-3843,
N/A,
|
| Complexity | 581 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.229g/mol |
| Monoisotopic Mass | 359.19g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number