| CAS Number | 690662-88-5 |
| Catalog Number | AG01FU7O(AGN-PC-03QCZZ) |
| Chemical Name | [4-[[(2-phenylethyl)amino]sulfonyl]phenyl]Boronic acid |
| IUPAC Name | [4-(2-phenylethylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C14H16BNO4S/c17-15(18)13-6-8-14(9-7-13)21(19,20)16-11-10-12-4-2-1-3-5-12/h1-9,16-18H,10-11H2 |
| InChI Key | JKFNGKMSRZZEGG-UHFFFAOYSA-N |
| MDL Number | MFCD28396556 |
| Molecular Formula | C14H16BNO4S |
| Molecular Weight | 305.1571 |
| SMILES | O=S(C1=CC=C(B(O)O)C=C1)(NCCC2=CC=CC=C2)=O |
| Synonyms | SCHEMBL5706283,
ZINC196744527,
(4-(N-Phenethylsulfamoyl)phenyl)boronic acid,
690662-88-5,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.089309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.2g/mol |
| Monoisotopic Mass | 305.089309g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number