| CAS Number | 1381759-84-7 |
| Catalog Number | AG00HV8D(AGN-PC-0WQZ3K) |
| Chemical Name | 5-Methyl-2-sulfamoylphenylboronic Acid |
| IUPAC Name | (5-methyl-2-sulfamoylphenyl)boronic acid |
| InChI | InChI=1S/C7H10BNO4S/c1-5-2-3-7(14(9,12)13)6(4-5)8(10)11/h2-4,10-11H,1H3,(H2,9,12,13) |
| InChI Key | OQZOPXKIHAVLAS-UHFFFAOYSA-N |
| MDL Number | MFCD28167269 |
| Molecular Formula | C7H10BNO4S |
| Molecular Weight | 215.0346 |
| SMILES | Cc1ccc(c(c1)B(O)O)S(=O)(=O)N |
| Synonyms | 1381759-84-7,
(5-Methyl-2-sulfamoylphenyl)boronic acid,
5-METHYL-2-SULFAMOYLPHENYLBORONIC ACID,
ZINC261494053,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.03g/mol |
| Monoisotopic Mass | 215.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^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