| CAS Number | 2102202-96-8 |
| Catalog Number | AG01FPUK(AGN-PC-3H5P5M) |
| Chemical Name | B-[4-[[(2-methylpropyl)amino]sulfonyl]phenyl]Boronic acid |
| IUPAC Name | [4-(2-methylpropylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H16BNO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12-14H,7H2,1-2H3 |
| InChI Key | HQBHGKKNILCXCY-UHFFFAOYSA-N |
| MDL Number | MFCD28396569 |
| Molecular Formula | C10H16BNO4S |
| Molecular Weight | 257.1143 |
| SMILES | O=S(C1=CC=C(B(O)O)C=C1)(NCC(C)C)=O |
| Synonyms | AS-70310,
(4-(N-Isobutylsulfamoyl)phenyl)boronic acid,
{4-[(2-methylpropyl)sulfamoyl]phenyl}boronic acid,
2102202-96-8,
N. A.,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.089309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.12g/mol |
| Monoisotopic Mass | 257.089309g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number