| CAS Number | 1509931-31-0 |
| Catalog Number | AG01CK2F(AGN-PC-0IG7HO) |
| Chemical Name | [4-[(ethylsulfonylamino)methyl]phenyl]boronic acid |
| IUPAC Name | [4-[(ethylsulfonylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C9H14BNO4S/c1-2-16(14,15)11-7-8-3-5-9(6-4-8)10(12)13/h3-6,11-13H,2,7H2,1H3 |
| InChI Key | QHCYTDXDVUMVMA-UHFFFAOYSA-N |
| MDL Number | MFCD31636153 |
| Molecular Formula | C9H14BNO4S |
| Molecular Weight | 243.0878 |
| SMILES | C(NS(=O)(=O)CC)c1ccc(cc1)B(O)O |
| Synonyms | 1509931-31-0,
SCHEMBL5660298,
AS-55403,
[4-(ethanesulfonamidomethyl)phenyl]boronic acid,
[4-[(ethylsulfonylamino)methyl]phenyl]boronic acid,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.084g/mol |
| Monoisotopic Mass | 243.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number