| CAS Number | 1240526-79-7 |
| Catalog Number | AG01A862 |
| Chemical Name | 1,4-difluoro-2-trifluoromethanesulfonylbenzene |
| IUPAC Name | 1,4-difluoro-2-(trifluoromethylsulfonyl)benzene |
| InChI | InChI=1S/C7H3F5O2S/c8-4-1-2-5(9)6(3-4)15(13,14)7(10,11)12/h1-3H |
| InChI Key | TZGUTGNHMZPRDW-UHFFFAOYSA-N |
| MDL Number | MFCD16622025 |
| Molecular Formula | C7H3F5O2S |
| Molecular Weight | 246.1545 |
| SMILES | FC1=CC(S(C(F)(F)F)(=O)=O)=C(F)C=C1 |
| Synonyms | 1,4-difluoro-2-trifluoromethanesulfonylbenzene,
1240526-79-7,
1,4-difluoro-2-(trifluoromethane)sulfonylbenzene,
AC1Q4LII,
ZINC57217626,
AKOS030703176,
MCULE-8860916098,
NE29566,
EN300-60821,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.151g/mol |
| Monoisotopic Mass | 245.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number