| CAS Number | 372-15-6 |
| Catalog Number | AG01EL77 |
| Chemical Name | 4-[(Trifluoromethyl)thio]iodobenzene |
| IUPAC Name | 1-iodo-4-(trifluoromethylsulfanyl)benzene |
| InChI | InChI=1S/C7H4F3IS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H |
| InChI Key | RIVGBAIATPAXKD-UHFFFAOYSA-N |
| MDL Number | MFCD09258931 |
| Molecular Formula | C7H4F3IS |
| Molecular Weight | 304.0713 |
| SMILES | FC(SC1=CC=C(I)C=C1)(F)F |
| Synonyms | 4-[(Trifluoromethyl)thio]iodobenzene,
1-iodo-4-[(trifluoromethyl)sulfanyl]benzene,
372-15-6,
SCHEMBL503539,
CTK7B7639,
MFCD09258931,
ZINC16158388,
(4-Iodophenyl)(trifluoromethyl) sulfide,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.069g/mol |
| Monoisotopic Mass | 303.903g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number