| CAS Number | 2246836-43-9 |
| Catalog Number | AG00SOBE(AGN-PC-3H4G43) |
| Chemical Name | N-[2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| IUPAC Name | N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| InChI | InChI=1S/C13H19BClNO4S/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15)11(8-9)16-21(5,17)18/h6-8,16H,1-5H3 |
| InChI Key | KSDKQDYOORXWOT-UHFFFAOYSA-N |
| MDL Number | MFCD32206453 |
| Molecular Formula | C13H19BClNO4S |
| Molecular Weight | 331.6233 |
| SMILES | CS(=O)(NC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1Cl)=O |
| Synonyms | AS-73331,
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide,
2246836-43-9,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.081637g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.6g/mol |
| Monoisotopic Mass | 331.081637g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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