| CAS Number | 2246633-90-7 |
| Catalog Number | AG01FRIO(AGN-PC-3H5PNA) |
| Chemical Name | N-(2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pentanamide |
| IUPAC Name | N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentanamide |
| InChI | InChI=1S/C17H25BClNO3/c1-6-7-8-15(21)20-14-11-12(9-10-13(14)19)18-22-16(2,3)17(4,5)23-18/h9-11H,6-8H2,1-5H3,(H,20,21) |
| InChI Key | GGOJTGKZNZAUBY-UHFFFAOYSA-N |
| MDL Number | MFCD32206473 |
| Molecular Formula | C17H25BClNO3 |
| Molecular Weight | 337.6493 |
| SMILES | CCCCC(NC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1Cl)=O |
| Synonyms | AS-73447,
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentanamide,
2246633-90-7,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.161602g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.6g/mol |
| Monoisotopic Mass | 337.161602g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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