| CAS Number | 1704067-46-8 |
| Catalog Number | AG00AR9W(AGN-PC-0WCS5I) |
| Chemical Name | (3,5-dimethyl-4-(morpholinosulfonyl)phenyl)boronic acid |
| IUPAC Name | (3,5-dimethyl-4-morpholin-4-ylsulfonylphenyl)boronic acid |
| InChI | InChI=1S/C12H18BNO5S/c1-9-7-11(13(15)16)8-10(2)12(9)20(17,18)14-3-5-19-6-4-14/h7-8,15-16H,3-6H2,1-2H3 |
| InChI Key | DPWCNHDAUCGNNQ-UHFFFAOYSA-N |
| MDL Number | MFCD28400280 |
| Molecular Formula | C12H18BNO5S |
| Molecular Weight | 299.1510 |
| SMILES | O=S(C1=C(C)C=C(B(O)O)C=C1C)(N2CCOCC2)=O |
| Synonyms | (3,5-dimethyl-4-(morpholinosulfonyl)phenyl)boronic acid,
1704067-46-8,
MFCD28400280,
ZINC230538829,
AM88308,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.148g/mol |
| Monoisotopic Mass | 299.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number