| CAS Number | 2096330-96-8 |
| Catalog Number | AG01FNRH(AGN-PC-3H4BHE) |
| Chemical Name | 4-(N,N-Diethylsulfamoyl)-2-trifluoromethylphenylboronic acid |
| IUPAC Name | [4-(diethylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BF3NO4S/c1-3-16(4-2)21(19,20)8-5-6-10(12(17)18)9(7-8)11(13,14)15/h5-7,17-18H,3-4H2,1-2H3 |
| InChI Key | MKOTXEGQVGUGSE-UHFFFAOYSA-N |
| MDL Number | MFCD18783150 |
| Molecular Formula | C11H15BF3NO4S |
| Molecular Weight | 325.1123 |
| SMILES | |
| Synonyms | 2096330-96-8,
4-(N,N-Diethylsulfamoyl)-2-trifluoromethylphenylboronic acid,
(4-(N,N-Diethylsulfamoyl)-2-(trifluoromethyl)phenyl)boronic acid,
MFCD18783150,
AKOS027356250,
ZINC169934948,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.109g/mol |
| Monoisotopic Mass | 325.077g/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
Certificate of Analysis
Lot Number