Dimethyl 5-[[(Trifluoromethyl)sulfonyl]oxy]isophthalate - CAS 168619-21-4
Catalog: |
BB012484 |
Product Name: |
Dimethyl 5-[[(Trifluoromethyl)sulfonyl]oxy]isophthalate |
CAS: |
168619-21-4 |
Synonyms: |
5-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylic acid dimethyl ester; dimethyl 5-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylate |
IUPAC Name: | dimethyl 5-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylate |
Description: | Dimethyl 5-[[(Trifluoromethyl)sulfonyl]oxy]isophthalate (CAS# 168619-21-4 ) is a useful research chemical. |
Molecular Weight: | 342.25 |
Molecular Formula: | C11H9F3O7S |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC |
InChI: | InChI=1S/C11H9F3O7S/c1-19-9(15)6-3-7(10(16)20-2)5-8(4-6)21-22(17,18)11(12,13)14/h3-5H,1-2H3 |
InChI Key: | RSTUPIKSYPDJNS-UHFFFAOYSA-N |
LogP: | 2.56900 |
Publication Number | Title | Priority Date |
WO-2019185586-A1 | Ligands for enhanced imaging and drug delivery to neuroblastoma cells | 20180326 |
WO-2012019428-A1 | Benzohydrol derivatives, a preparation process and pharmaceutical use thereof | 20100810 |
JP-2010235917-A | High refractive index resin composition and optical component | 20090312 |
JP-2010085607-A | Composition for optical component and optical component | 20080930 |
JP-2010077354-A | Amide polymer, composition for optical component, and optical component | 20080929 |
Complexity: | 499 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.00210828 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.00210828 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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