| CAS Number | 1628473-27-7 |
| Catalog Number | AG01DVSA |
| Chemical Name | 2-methanesulfonyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C14H18BNO4S/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(21(5,17)18)10(8-11)9-16/h6-8H,1-5H3 |
| InChI Key | RPPDBGQTTTWIJG-UHFFFAOYSA-N |
| MDL Number | MFCD18760186 |
| Molecular Formula | C14H18BNO4S |
| Molecular Weight | 307.1730 |
| SMILES | CC1(C(C)(C)OB(C2=CC(C#N)=C(S(C)(=O)=O)C=C2)O1)C |
| Synonyms | SCHEMBL16064104,
ZINC219288469,
2-methanesulfonyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
1628473-27-7,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.171g/mol |
| Monoisotopic Mass | 307.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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