| CAS Number | 2096341-85-2 |
| Catalog Number | AG01EHJZ |
| Chemical Name | 2-Fluoro-4-(piperidinomethyl)phenylboronic acid pinacol ester |
| IUPAC Name | 1-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine |
| InChI | InChI=1S/C18H27BFNO2/c1-17(2)18(3,4)23-19(22-17)15-9-8-14(12-16(15)20)13-21-10-6-5-7-11-21/h8-9,12H,5-7,10-11,13H2,1-4H3 |
| InChI Key | VJUCIPDCUWVCFJ-UHFFFAOYSA-N |
| MDL Number | MFCD18434465 |
| Molecular Formula | C18H27BFNO2 |
| Molecular Weight | 319.2219 |
| SMILES | Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CN1CCCCC1 |
| Synonyms | 2-Fluoro-4-(piperidinomethyl)phenylboronic acid pinacol ester,
2096341-85-2,
1-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine,
MFCD18434465,
AKOS027346627,
ZINC169936666,
A-3438,
N/A,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.227g/mol |
| Monoisotopic Mass | 319.212g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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