| CAS Number | 1337505-77-7 |
| Catalog Number | AG01BVBM |
| Chemical Name | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride |
| InChI | InChI=1S/C12H16BFO4S/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)19(14,15)16/h5-8H,1-4H3 |
| InChI Key | XHAPVQLJEKERJW-UHFFFAOYSA-N |
| MDL Number | MFCD30486583 |
| Molecular Formula | C12H16BFO4S |
| Molecular Weight | 286.1274 |
| SMILES | O=S(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)(F)=O |
| Synonyms | 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride,
1337505-77-7,
ZINC536948667,
ES-2225,
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.124g/mol |
| Monoisotopic Mass | 286.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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