| CAS Number | 1704121-72-1 |
| Catalog Number | AG00ARDO(AGN-PC-0WCTQM) |
| Chemical Name | {3,5-dimethyl-4-[(propan-2-yl)sulfamoyl]phenyl}boronic acid |
| IUPAC Name | [3,5-dimethyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H18BNO4S/c1-7(2)13-18(16,17)11-8(3)5-10(12(14)15)6-9(11)4/h5-7,13-15H,1-4H3 |
| InChI Key | FMJRLYQOGPUFJU-UHFFFAOYSA-N |
| MDL Number | MFCD28805609 |
| Molecular Formula | C11H18BNO4S |
| Molecular Weight | 271.1409 |
| SMILES | OB(O)C1=CC(C)=C(S(NC(C)C)(=O)=O)C(C)=C1 |
| Synonyms | (4-(N-isopropylsulfamoyl)-3,5-dimethylphenyl)boronic acid,
1704121-72-1,
MFCD28805609,
ZINC230555594,
AM88172,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.138g/mol |
| Monoisotopic Mass | 271.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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