| CAS Number | 2096333-30-9 |
| Catalog Number | AG01EH9X(AGN-PC-3H45F7) |
| Chemical Name | 4-(N-tert-Butylsulfamoyl)-2-trifluoromethylphenylboronic acid |
| IUPAC Name | [4-(tert-butylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BF3NO4S/c1-10(2,3)16-21(19,20)7-4-5-9(12(17)18)8(6-7)11(13,14)15/h4-6,16-18H,1-3H3 |
| InChI Key | HMGRMEBSMVAFEP-UHFFFAOYSA-N |
| MDL Number | MFCD18783146 |
| Molecular Formula | C11H15BF3NO4S |
| Molecular Weight | 325.1123 |
| SMILES | OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NC(C)(C)C)O |
| Synonyms | 4-(N-tert-Butylsulfamoyl)-2-trifluoromethylphenylboronic acid,
2096333-30-9,
MFCD18783146,
AKOS030530098,
ZINC169934930,
Y2670,
B-9456,
C11H15BF3NO4S,
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| Complexity | 456 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.109g/mol |
| Monoisotopic Mass | 325.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number