| CAS Number | 2096329-66-5 |
| Catalog Number | AG01EHIZ |
| Chemical Name | 4-(N-Cyclohexylsulfamoyl)-2-trifluoromethylphenylboronic acid |
| IUPAC Name | [4-(cyclohexylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C13H17BF3NO4S/c15-13(16,17)11-8-10(6-7-12(11)14(19)20)23(21,22)18-9-4-2-1-3-5-9/h6-9,18-20H,1-5H2 |
| InChI Key | TXXCXSFAAAGBOL-UHFFFAOYSA-N |
| MDL Number | MFCD18783149 |
| Molecular Formula | C13H17BF3NO4S |
| Molecular Weight | 351.1496 |
| SMILES | OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NC1CCCCC1)O |
| Synonyms | 4-(N-Cyclohexylsulfamoyl)-2-trifluoromethylphenylboronic acid,
2096329-66-5,
(4-(N-Cyclohexylsulfamoyl)-2-(trifluoromethyl)phenyl)boronic acid,
C13H17BF3NO4S,
MFCD18783149,
ZINC169934943,
Y2665,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.147g/mol |
| Monoisotopic Mass | 351.092g/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