| CAS Number | 1036475-80-5 |
| Catalog Number | AG01A91A |
| Chemical Name | 4-[(2,2,2-trifluoroethyl)sulfamoyl]benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2 |
| InChI Key | LEPFENCWGMWGBO-UHFFFAOYSA-N |
| MDL Number | MFCD12615982 |
| Molecular Formula | C8H7ClF3NO4S2 |
| Molecular Weight | 337.7237 |
| SMILES | FC(CNS(C1=CC=C(S(Cl)(=O)=O)C=C1)(=O)=O)(F)F |
| Synonyms | 4-[(2,2,2-trifluoroethyl)sulfamoyl]benzene-1-sulfonyl chloride,
1036475-80-5,
AC1Q4K85,
ZINC59060164,
AKOS009163784,
NE24146,
EN300-63946,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.712g/mol |
| Monoisotopic Mass | 336.946g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number