| CAS Number | 1040687-55-5 |
| Catalog Number | AG01AB7U(AGN-PC-0WBXN3) |
| Chemical Name | 4-fluoro-2-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | 4-fluoro-2-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C7H5F4NO2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H,(H2,12,13,14) |
| InChI Key | KBGBZUYUQBXKRH-UHFFFAOYSA-N |
| MDL Number | MFCD10687237 |
| Molecular Formula | C7H5F4NO2S |
| Molecular Weight | 243.1787 |
| SMILES | NS(C1=C(C(F)(F)F)C=C(F)C=C1)(=O)=O |
| Synonyms | 4-FLUORO-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE,
1040687-55-5,
4-fluoro-2-(trifluoromethyl)benzene-1-sulfonamide,
4-Fluoro-2-trifluoromethylbenzenesulfonamide,
CTK7B8638,
BBL100886,
GS0345,
MFCD10687237,
STL554680,
ZINC19736842,
AKOS005255214,
FS-4716,
MCULE-4936723939,
TR-050053,
EN300-70717,
Y-9443,
4-fluoro-2-(trifluoromethyl)benzenesulfonamide, AldrichCPR,
AC1Q557E,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.997712g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.18g/mol |
| Monoisotopic Mass | 242.997712g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number