| CAS Number | 1704067-27-5 |
| Catalog Number | AG00ARDD(AGN-PC-0WCRMZ) |
| Chemical Name | (4-(N,N-dimethylsulfamoyl)-3,5-dimethylphenyl)boronic acid |
| IUPAC Name | [4-(dimethylsulfamoyl)-3,5-dimethylphenyl]boronic acid |
| InChI | InChI=1S/C10H16BNO4S/c1-7-5-9(11(13)14)6-8(2)10(7)17(15,16)12(3)4/h5-6,13-14H,1-4H3 |
| InChI Key | LXLPZSFYAKFYEA-UHFFFAOYSA-N |
| MDL Number | MFCD28384285 |
| Molecular Formula | C10H16BNO4S |
| Molecular Weight | 257.1143 |
| SMILES | CN(S(=O)(=O)C1=C(C=C(C=C1C)B(O)O)C)C |
| Synonyms | (4-(N,N-dimethylsulfamoyl)-3,5-dimethylphenyl)boronic acid,
1704067-27-5,
MFCD28384285,
ZINC230538060,
AM88183,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.111g/mol |
| Monoisotopic Mass | 257.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.2A^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