(R)-2-[4-[[(trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid - CAS 533931-60-1
Catalog: |
BB028193 |
Product Name: |
(R)-2-[4-[[(trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid |
CAS: |
533931-60-1 |
Synonyms: |
(2R)-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid; (2R)-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid |
IUPAC Name: | (2R)-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid |
Description: | (R)-2-[4-[[(trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid (CAS# 533931-60-1 ) 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)/t6-/m1/s1 |
InChI Key: | NHVNEQGTEVFGPL-ZCFIWIBFSA-N |
Publication Number | Title | Priority Date |
EP-1776336-A2 | 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them | 20040323 |
EP-1776336-B1 | 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them | 20040323 |
RU-2006137272-A | 2-Phenylpropionic Acid Derivatives and Their Pharmaceutical Compositions | 20040323 |
RU-2375347-C2 | 2-phenylpropionic acid derivatives and pharmaceutical compositions containing thereof | 20040323 |
US-2009203740-A1 | 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them | 20040323 |
PMID | Publication Date | Title | Journal |
17665889 | 20070823 | Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2 | Journal of medicinal chemistry |
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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