| CAS Number | 2096341-89-6 |
| Catalog Number | AG01EHGX |
| Chemical Name | 2-(t-Butoxycarbonyl)-6-chloropyridine-4-boronic acid, pinacol ester |
| IUPAC Name | tert-butyl 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate |
| InChI | InChI=1S/C16H23BClNO4/c1-14(2,3)21-13(20)11-8-10(9-12(18)19-11)17-22-15(4,5)16(6,7)23-17/h8-9H,1-7H3 |
| InChI Key | LOAWJVXTSJUHIB-UHFFFAOYSA-N |
| MDL Number | MFCD18783183 |
| Molecular Formula | C16H23BClNO4 |
| Molecular Weight | 339.6221 |
| SMILES | O=C(OC(C)(C)C)C1=NC(Cl)=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 2-(t-Butoxycarbonyl)-6-chloropyridine-4-boronic acid, pinacol ester,
2096341-89-6,
tert-Butyl 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate,
MFCD18783183,
AKOS027363127,
ZINC169936721,
A-3360,
N/A,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.623g/mol |
| Monoisotopic Mass | 339.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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