| CAS Number | 1443036-49-4 |
| Catalog Number | AG00AQFZ |
| Chemical Name | Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanide |
| IUPAC Name | 1-phenyl-2-(phenyl-λ3-iodanylidene)-2-(trifluoromethylsulfonyl)ethanone |
| InChI | InChI=1S/C15H10F3IO3S/c16-15(17,18)23(21,22)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H |
| InChI Key | BGLWFUSLNKHJEU-UHFFFAOYSA-N |
| MDL Number | MFCD28054471 |
| Molecular Formula | C15H10F3IO3S |
| Molecular Weight | 454.2028 |
| SMILES | O=C(C(=[I]c1ccccc1)S(=O)(=O)C(F)(F)F)c1ccccc1 |
| Synonyms | 1443036-49-4,
Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanide,
Shibata Reagent II,
MFCD28054471,
P2143,
[1-(Trifluoromethylsulfonyl)-2-phenyl-2-oxoethylidene]phenyliodine(III),
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| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 453.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.202g/mol |
| Monoisotopic Mass | 453.935g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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