| CAS Number | 942-39-2 |
| Catalog Number | AG006CWX(AGN-PC-00NG95) |
| Chemical Name | 1-fluoro-4-trifluoromethanesulfinylbenzene |
| IUPAC Name | 1-fluoro-4-(trifluoromethylsulfinyl)benzene |
| InChI | InChI=1S/C7H4F4OS/c8-5-1-3-6(4-2-5)13(12)7(9,10)11/h1-4H |
| InChI Key | ZJEHPWYIWGABEA-UHFFFAOYSA-N |
| MDL Number | MFCD01009706 |
| Molecular Formula | C7H4F4OS |
| Molecular Weight | 212.1647 |
| SMILES | FC1=CC=C(S(C(F)(F)F)=O)C=C1 |
| Synonyms | 942-39-2,
1-FLUORO-4-(TRIFLUOROMETHYLSULFINYL)BENZENE,
4-FLUOROPHENYL TRIFLUOROMETHYL SULFOXIDE,
SCHEMBL7929166,
CTK5H6024,
DTXSID30545313,
AKOS003630665,
4-Fluorophenyl trifluoromethyl sulphoxide,
1-Fluoro-4-(trifluoromethanesulfinyl)benzene,
C-1280,
1-FLUORO-4-TRIFLUOROMETHANESULFINYLBENZENE,
1-fluoro-4-((trifluoromethyl)sulfinyl)benzene,
1-Fluoro-4-(trifluoromethylsulfinyl)benzene, 98% - 1G 1g,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.162g/mol |
| Monoisotopic Mass | 211.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number