(S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid - CAS 533931-72-5
Catalog: |
BB028194 |
Product Name: |
(S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid |
CAS: |
533931-72-5 |
Synonyms: |
2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid; 2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid |
IUPAC Name: | (2S)-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid |
Description: | (S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid (CAS# 533931-72-5 ) is a useful research chemical. |
Molecular Weight: | 298.24 |
Molecular Formula: | C10H9F3O5S |
Canonical SMILES: | CC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C10H9F3O5S/c1-6(9(14)15)7-2-4-8(5-3-7)18-19(16,17)10(11,12)13/h2-6H,1H3,(H,14,15) |
InChI Key: | NHVNEQGTEVFGPL-UHFFFAOYSA-N |
LogP: | 3.18390 |
Publication Number | Title | Priority Date |
EP-1455773-A1 | 2-aryl-propionic acids and pharmaceutical compositions containing them | 20011120 |
EP-1455773-B1 | 2-aryl-propionic acids and pharmaceutical compositions containing them | 20011120 |
EP-2229942-A1 | 2-Aryl-propionic acids and pharmaceutical compositions containing them | 20011120 |
US-2005038119-A1 | 2-Aryl-propionic acids and pharmaceutical compositions containing them | 20011120 |
US-8063242-B2 | 2-aryl-propionic acids and pharmaceutical compositions containing them | 20011120 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.01227904 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.01227904 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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