| CAS Number | 756520-90-8 |
| Catalog Number | AG01EB42(AGN-PC-0H438L) |
| Chemical Name | Ethanesulfonamide, 2-(dimethylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 2-(dimethylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C16H27BN2O4S/c1-15(2)16(3,4)23-17(22-15)13-7-9-14(10-8-13)18-24(20,21)12-11-19(5)6/h7-10,18H,11-12H2,1-6H3 |
| InChI Key | YXHQEXFMZGYIGT-UHFFFAOYSA-N |
| MDL Number | MFCD31916435 |
| Molecular Formula | C16H27BN2O4S |
| Molecular Weight | 354.2726 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC=C(NS(CCN(C)C)(=O)=O)C=C2 |
| Synonyms | 756520-90-8,
SCHEMBL488838,
AS-55450,
2-(dimethylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
Ethanesulfonamide, 2-(dimethylamino)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
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| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.272g/mol |
| Monoisotopic Mass | 354.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number