| CAS Number | 1261764-47-9 |
| Catalog Number | AG01B8Z2 |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClF3O2S/c1-5-4-6(8(10,11)12)2-3-7(5)15(9,13)14/h2-4H,1H3 |
| InChI Key | KEMXARIURFTNQW-UHFFFAOYSA-N |
| MDL Number | MFCD18399866 |
| Molecular Formula | C8H6ClF3O2S |
| Molecular Weight | 258.6452 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=CC(C(F)(F)F)=C1 |
| Synonyms | 2-methyl-4-(trifluoromethyl)benzene-1-sulfonyl chloride,
1261764-47-9,
MFCD18399866,
ZINC228808528,
2-Methyl-4-(trifluoromethyl)benzenesulfonyl chloride,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.639g/mol |
| Monoisotopic Mass | 257.973g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number