| CAS Number | 1313617-68-3 |
| Catalog Number | AG00HSFT(AGN-PC-0WQZ6P) |
| Chemical Name | (4-Methanesulfonyl-3-methoxyphenyl)boronic acid |
| IUPAC Name | (3-methoxy-4-methylsulfonylphenyl)boronic acid |
| InChI | InChI=1S/C8H11BO5S/c1-14-7-5-6(9(10)11)3-4-8(7)15(2,12)13/h3-5,10-11H,1-2H3 |
| InChI Key | SRUUTBYHOBCTHT-UHFFFAOYSA-N |
| MDL Number | MFCD27935712 |
| Molecular Formula | C8H11BO5S |
| Molecular Weight | 230.0459 |
| SMILES | COc1cc(ccc1S(=O)(=O)C)B(O)O |
| Synonyms | (4-Methanesulfonyl-3-methoxyphenyl)boronic acid,
1313617-68-3,
ZINC170001700,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.041g/mol |
| Monoisotopic Mass | 230.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number