| CAS Number | 2055119-40-7 |
| Catalog Number | AG00I3XF(AGN-PC-0WQZX2) |
| Chemical Name | 2-Fluoro-1-(2-fluoro-4-methanesulfonylphenoxy)-4-methanesulfonylbenzene |
| IUPAC Name | 2-fluoro-1-(2-fluoro-4-methylsulfonylphenoxy)-4-methylsulfonylbenzene |
| InChI | InChI=1S/C14H12F2O5S2/c1-22(17,18)9-3-5-13(11(15)7-9)21-14-6-4-10(8-12(14)16)23(2,19)20/h3-8H,1-2H3 |
| InChI Key | RIRGECISYIIKIA-UHFFFAOYSA-N |
| MDL Number | MFCD30527659 |
| Molecular Formula | C14H12F2O5S2 |
| Molecular Weight | 362.3689 |
| SMILES | Fc1cc(ccc1Oc1ccc(cc1F)S(=O)(=O)C)S(=O)(=O)C |
| Synonyms | 2-Fluoro-1-(2-fluoro-4-methanesulfonylphenoxy)-4-methanesulfonylbenzene,
2055119-40-7,
|
| Complexity | 554 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.362g/mol |
| Monoisotopic Mass | 362.009g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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