| CAS Number | 1704069-04-4 |
| Catalog Number | AG00AR9X(AGN-PC-0WCRMW) |
| Chemical Name | 3,5-dimethyl-4-(N-methylsulfamoyl)phenylboronic acid |
| IUPAC Name | [3,5-dimethyl-4-(methylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H14BNO4S/c1-6-4-8(10(12)13)5-7(2)9(6)16(14,15)11-3/h4-5,11-13H,1-3H3 |
| InChI Key | QGIUBYNIRFZDBP-UHFFFAOYSA-N |
| MDL Number | MFCD28384282 |
| Molecular Formula | C9H14BNO4S |
| Molecular Weight | 243.0878 |
| SMILES | S(=O)(=O)(NC)c1c(C)cc(cc1C)B(O)O |
| Synonyms | (3,5-dimethyl-4-(N-methylsulfamoyl)phenyl)boronic acid,
1704069-04-4,
ZINC230540684,
AM88307,
AS-69518,
[3,5-dimethyl-4-(methylsulfamoyl)phenyl]boronic acid,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.073659g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.09g/mol |
| Monoisotopic Mass | 243.073659g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number