| CAS Number | 1314987-50-2 |
| Catalog Number | AG000WD1(AGN-PC-0HXCEJ) |
| Chemical Name | Boronic acid, B-[5-[[(1,1-dimethylethyl)amino]sulfonyl]-3-pyridinyl]- |
| IUPAC Name | [5-(tert-butylsulfamoyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C9H15BN2O4S/c1-9(2,3)12-17(15,16)8-4-7(10(13)14)5-11-6-8/h4-6,12-14H,1-3H3 |
| InChI Key | BHXPLHQBIOVPCK-UHFFFAOYSA-N |
| MDL Number | MFCD27955970 |
| Molecular Formula | C9H15BN2O4S |
| Molecular Weight | 258.1024 |
| SMILES | O=S(C1=CN=CC(B(O)O)=C1)(NC(C)(C)C)=O |
| Synonyms | 1314987-50-2,
B-[5-[[(1,1-dimethylethyl)amino]sulfonyl]-3-pyridinyl]Boronic acid,
(5-(N-(tert-Butyl)sulfamoyl)pyridin-3-yl)boronic acid,
[5-(tert-butylsulfamoyl)pyridin-3-yl]boronic acid,
SCHEMBL12804923,
BHXPLHQBIOVPCK-UHFFFAOYSA-N,
KS-000000QY,
MFCD27955970,
AKOS028108332,
ZINC206197672,
AS-55238,
DA-12417,
FT-0736641,
5-(N-tert-butylsulfamoyl)pyridin-3-ylboronic acid,
Boronic acid, B-[5-[[(1,1-dimethylethyl)amino]sulfonyl]-3-pyridinyl]-,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.099g/mol |
| Monoisotopic Mass | 258.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| 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