| CAS Number | 1839059-86-7 |
| Catalog Number | AG00I1FS(AGN-PC-0WOGSM) |
| Chemical Name | 3-t-Butoxycarbonyl-2-chloropyridine-5-boronic acid pinacol ester |
| IUPAC Name | tert-butyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
| InChI | InChI=1S/C16H23BClNO4/c1-14(2,3)21-13(20)11-8-10(9-19-12(11)18)17-22-15(4,5)16(6,7)23-17/h8-9H,1-7H3 |
| InChI Key | CMWOCEFRPBMXRD-UHFFFAOYSA-N |
| MDL Number | MFCD18434473 |
| Molecular Formula | C16H23BClNO4 |
| Molecular Weight | 339.6221 |
| SMILES | CC(OC(C1=C(Cl)N=CC(B2OC(C)(C)C(C)(C)O2)=C1)=O)(C)C |
| Synonyms | 1839059-86-7,
3-t-Butoxycarbonyl-2-chloropyridine-5-boronic acid pinacol ester,
tert-Butyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate,
MFCD18434473,
ZINC169936727,
A-3419,
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| 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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