| CAS Number | 2246811-65-2 |
| Catalog Number | AG01FPUT(AGN-PC-3H5P5K) |
| Chemical Name | N-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide |
| IUPAC Name | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide |
| InChI | InChI=1S/C18H26BFN2O3/c1-17(2)18(3,4)25-19(24-17)13-8-9-15(14(20)12-13)21-16(23)22-10-6-5-7-11-22/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,23) |
| InChI Key | ZNGQCYUKPHYRAG-UHFFFAOYSA-N |
| MDL Number | MFCD32206542 |
| Molecular Formula | C18H26BFN2O3 |
| Molecular Weight | 348.2200 |
| SMILES | FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)NC(=O)N1CCCCC1 |
| Synonyms | 2246811-65-2,
N-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide,
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide,
AS-74352,
A1-23072,
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| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.202051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.2g/mol |
| Monoisotopic Mass | 348.202051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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