| CAS Number | 2096338-40-6 |
| Catalog Number | AG01FU7A(AGN-PC-3H60F1) |
| Chemical Name | (3-(N-(p-tolyl)sulfamoyl)phenyl)boronic acid |
| IUPAC Name | [3-[(4-methylphenyl)sulfamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H14BNO4S/c1-10-5-7-12(8-6-10)15-20(18,19)13-4-2-3-11(9-13)14(16)17/h2-9,15-17H,1H3 |
| InChI Key | GRQHTWKGKZUQNA-UHFFFAOYSA-N |
| MDL Number | MFCD20265264 |
| Molecular Formula | C13H14BNO4S |
| Molecular Weight | 291.1306 |
| SMILES | OB(O)C1=CC(S(NC2=CC=C(C)C=C2)(=O)=O)=CC=C1 |
| Synonyms | ZINC169744230,
2096338-40-6,
3-(4-Methylphenylsulfamoyl)benzeneboronic acid,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.073659g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.1g/mol |
| Monoisotopic Mass | 291.073659g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number