| CAS Number | 1704067-22-0 |
| Catalog Number | AG00ARDC(AGN-PC-0WCRMY) |
| Chemical Name | (4-(N,N-diethylsulfamoyl)-3,5-dimethylphenyl)boronic acid |
| IUPAC Name | [4-(diethylsulfamoyl)-3,5-dimethylphenyl]boronic acid |
| InChI | InChI=1S/C12H20BNO4S/c1-5-14(6-2)19(17,18)12-9(3)7-11(13(15)16)8-10(12)4/h7-8,15-16H,5-6H2,1-4H3 |
| InChI Key | PHMYJQTZLISWIU-UHFFFAOYSA-N |
| MDL Number | MFCD28384284 |
| Molecular Formula | C12H20BNO4S |
| Molecular Weight | 285.1675 |
| SMILES | C(C)N(S(=O)(=O)C1=C(C=C(C=C1C)B(O)O)C)CC |
| Synonyms | (4-(N,N-diethylsulfamoyl)-3,5-dimethylphenyl)boronic acid,
1704067-22-0,
MFCD28384284,
ZINC230537808,
AM88184,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.165g/mol |
| Monoisotopic Mass | 285.121g/mol |
| Rotatable Bond Count | 5 |
| 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