| CAS Number | 1178111-39-1 |
| Catalog Number | AG01BG2M |
| Chemical Name | 4-(Difluoromethoxy)-3-fluorobenzenesulfonyl chloride |
| IUPAC Name | 4-(difluoromethoxy)-3-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H4ClF3O3S/c8-15(12,13)4-1-2-6(5(9)3-4)14-7(10)11/h1-3,7H |
| InChI Key | PABHZYCQTUFWJU-UHFFFAOYSA-N |
| MDL Number | MFCD12165952 |
| Molecular Formula | C7H4ClF3O3S |
| Molecular Weight | 260.6181 |
| SMILES | O=S(C1=CC=C(OC(F)F)C(F)=C1)(Cl)=O |
| Synonyms | 4-(difluoromethoxy)-3-fluorobenzene-1-sulfonyl chloride,
1178111-39-1,
AKOS009147048,
ZINC100559153,
NE31687,
4-(difluoromethoxy)-3-fluorobenzenesulfonyl chloride,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.611g/mol |
| Monoisotopic Mass | 259.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number