| CAS Number | 1261457-38-8 |
| Catalog Number | AG01BVP6 |
| Chemical Name | 2-Methoxy-6-(trifluoromethoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methoxy-6-(trifluoromethoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClF3O4S/c1-15-5-3-2-4-6(16-8(10,11)12)7(5)17(9,13)14/h2-4H,1H3 |
| InChI Key | MTMHWORXTHEGDB-UHFFFAOYSA-N |
| MDL Number | MFCD18398439 |
| Molecular Formula | C8H6ClF3O4S |
| Molecular Weight | 290.6440 |
| SMILES | COC1=C(S(Cl)(=O)=O)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-methoxy-6-(trifluoromethoxy)benzene-1-sulfonyl chloride,
1261457-38-8,
ZINC382635151,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.637g/mol |
| Monoisotopic Mass | 289.963g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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