| CAS Number | 196809-85-5 |
| Catalog Number | AG01FPTV(AGN-PC-0A1TUB) |
| Chemical Name | [4-[(propylamino)sulfonyl]phenyl]Boronic acid |
| IUPAC Name | [4-(propylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H14BNO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-6,11-13H,2,7H2,1H3 |
| InChI Key | KXZCLGBIAGNAGS-UHFFFAOYSA-N |
| MDL Number | MFCD28396555 |
| Molecular Formula | C9H14BNO4S |
| Molecular Weight | 243.0878 |
| SMILES | O=S(C1=CC=C(B(O)O)C=C1)(NCCC)=O |
| Synonyms | 196809-85-5,
(4-(N-Propylsulfamoyl)phenyl)boronic acid,
SCHEMBL7926321,
[4-(propylsulfamoyl)phenyl]boronic acid,
AS-66518,
|
| Complexity | 293 |
| 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 | 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