| CAS Number | 2068759-01-1 |
| Catalog Number | AG01FRIG(AGN-PC-3H5PN5) |
| Chemical Name | 4-chloro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]Benzenesulfonamide |
| IUPAC Name | 4-chloro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C18H21BClNO4S/c1-17(2)18(3,4)25-19(24-17)13-5-9-15(10-6-13)21-26(22,23)16-11-7-14(20)8-12-16/h5-12,21H,1-4H3 |
| InChI Key | WJQLLOFZUMDPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206510 |
| Molecular Formula | C18H21BClNO4S |
| Molecular Weight | 393.6926 |
| SMILES | O=S(C1=CC=C(Cl)C=C1)(NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)=O |
| Synonyms | AS-74009,
4-chloro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1-sulfonamide,
2068759-01-1,
|
| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.097287g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.7g/mol |
| Monoisotopic Mass | 393.097287g/mol |
| Rotatable Bond Count | 4 |
| 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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