| CAS Number | 710348-21-3 |
| Catalog Number | AG01C9ON(AGN-PC-0WON2K) |
| Chemical Name | N-[4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| IUPAC Name | N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| InChI | InChI=1S/C14H22BNO4S/c1-10-7-8-11(16-21(6,17)18)9-12(10)15-19-13(2,3)14(4,5)20-15/h7-9,16H,1-6H3 |
| InChI Key | SUCCUAMVSDTYKS-UHFFFAOYSA-N |
| MDL Number | MFCD22494198 |
| Molecular Formula | C14H22BNO4S |
| Molecular Weight | 311.2048 |
| SMILES | CC1=C(C=C(C=C1)NS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 710348-21-3,
N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide,
SCHEMBL4165836,
SUCCUAMVSDTYKS-UHFFFAOYSA-N,
N-[4-methyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]methanesulfonamide,
N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanesulfonamide,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.203g/mol |
| Monoisotopic Mass | 311.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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