| CAS Number | 1106313-72-7 |
| Catalog Number | AG01B9V4 |
| Chemical Name | 5-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 5-chloro-2-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3Cl2F3O2S/c8-4-1-2-5(7(10,11)12)6(3-4)15(9,13)14/h1-3H |
| InChI Key | DGJQWHLNRYBMOE-UHFFFAOYSA-N |
| MDL Number | MFCD13185472 |
| Molecular Formula | C7H3Cl2F3O2S |
| Molecular Weight | 279.0637 |
| SMILES | FC(C1=C(S(Cl)(=O)=O)C=C(Cl)C=C1)(F)F |
| Synonyms | 5-chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride,
1106313-72-7,
SCHEMBL3410514,
DGJQWHLNRYBMOE-UHFFFAOYSA-N,
ZINC217394149,
5-chloro-2-trifluoromethyl-benzenesulfonyl chloride,
5-chloro-2-(trifluoromethyl)benzenesulfonyl chloride,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.054g/mol |
| Monoisotopic Mass | 277.918g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number