| CAS Number | 944-30-9 |
| Catalog Number | AG006B2L(AGN-PC-0KYL1D) |
| Chemical Name | Benzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]- |
| IUPAC Name | 1-fluoro-4-(trifluoromethylsulfonyl)benzene |
| InChI | InChI=1S/C7H4F4O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H |
| InChI Key | GYGWKIHINPEOAM-UHFFFAOYSA-N |
| MDL Number | MFCD00474658 |
| Molecular Formula | C7H4F4O2S |
| Molecular Weight | 228.1641 |
| SMILES | O=S(C1=CC=C(F)C=C1)(C(F)(F)F)=O |
| Synonyms | 944-30-9,
1-fluoro-4-trifluoromethanesulfonylbenzene,
1-fluoro-4-(trifluoromethylsulfonyl)benzene,
1-fluoro-4-[(trifluoromethyl)sulfonyl]benzene,
Benzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]-,
4-(Trifluoromethylsulfonyl)fluorobenzene,
AC1MVLMW,
AC1Q4MAV,
SCHEMBL7937243,
CTK3G9254,
DTXSID60395025,
ZINC3172375,
MFCD00474658,
AKOS009189844,
MCULE-1281253545,
NE11541,
(Trifluoromethyl)(4-fluorophenyl) sulfone,
EN300-31735,
CID3685201,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.161g/mol |
| Monoisotopic Mass | 227.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number