| CAS Number | 1096958-65-4 |
| Catalog Number | AG019SNC |
| Chemical Name | (2,5-Difluorophenyl)(3-methanesulfonylphenyl)methanone |
| IUPAC Name | (2,5-difluorophenyl)-(3-methylsulfonylphenyl)methanone |
| InChI | InChI=1S/C14H10F2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8H,1H3 |
| InChI Key | IGCWYPNXBSPFML-UHFFFAOYSA-N |
| MDL Number | MFCD13660693 |
| Molecular Formula | C14H10F2O3S |
| Molecular Weight | 296.2892 |
| SMILES | CS(C1=CC(C(C2=C(F)C=CC(F)=C2)=O)=CC=C1)(=O)=O |
| Synonyms | (2,5-difluorophenyl)(3-methanesulfonylphenyl)methanone,
1096958-65-4,
ZINC37354056,
AKOS009338769,
MCULE-1695784363,
NE41397,
EN300-94395,
Z1270207920,
|
| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.288g/mol |
| Monoisotopic Mass | 296.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number