| CAS Number | 1314069-51-6 |
| Catalog Number | AG01FNT4(AGN-PC-3H4BIG) |
| Chemical Name | 4-chloro-N-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide |
| IUPAC Name | 4-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C18H20BClFNO4S/c1-17(2)18(3,4)26-19(25-17)12-5-10-16(15(21)11-12)22-27(23,24)14-8-6-13(20)7-9-14/h5-11,22H,1-4H3 |
| InChI Key | WFXADFSUWLRSJG-UHFFFAOYSA-N |
| MDL Number | MFCD22494720 |
| Molecular Formula | C18H20BClFNO4S |
| Molecular Weight | 411.6831 |
| SMILES | O=S(C1=CC=C(Cl)C=C1)(NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2F)=O |
| Synonyms | SCHEMBL15091823,
AS-74496,
1314069-51-6,
4-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1-sulfonamide,
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| Complexity | 618 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.087865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.7g/mol |
| Monoisotopic Mass | 411.087865g/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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