| CAS Number | 43032-69-5 |
| Catalog Number | AG01EVXM(AGN-PC-0KKO6F) |
| Chemical Name | 3-Trifluoromethylphenylmethylsulfone |
| IUPAC Name | 1-methylsulfonyl-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H7F3O2S/c1-14(12,13)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3 |
| InChI Key | FLUUWBSOLRFAKL-UHFFFAOYSA-N |
| MDL Number | MFCD06656007 |
| Molecular Formula | C8H7F3O2S |
| Molecular Weight | 224.2002 |
| SMILES | C1=CC=C(C=C1S(C)(=O)=O)C(F)(F)F |
| Synonyms | 1-methanesulfonyl-3-trifluoromethyl-benzene,
43032-69-5,
SCHEMBL862931,
CTK7B6852,
FLUUWBSOLRFAKL-UHFFFAOYSA-N,
ZINC4290216,
AKOS015962996,
FS-5912,
1-methanesulfonyl-3-trifluoromethylbenzene,
1-(Trifluoromethyl)-3-(methylsulfonyl)benzene,
1-METHANESULFONYL-3-(TRIFLUOROMETHYL)BENZENE,
AC1MC3F2,
3-Trifluoromethylphenylmethylsulfone,
ZINC04290216,
CID2760761,
1-methylsulfonyl-3-(trifluoromethyl)benzene,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.011885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.2g/mol |
| Monoisotopic Mass | 224.011885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number