5-(Trifluoroacetyl)thiophene-2-carboxylic Acid - CAS 929028-43-3
Catalog: |
BB057255 |
Product Name: |
5-(Trifluoroacetyl)thiophene-2-carboxylic Acid |
CAS: |
929028-43-3 |
Synonyms: |
5-(2,2,2-Trifluoroacetyl)-2-thiophenecarboxylic Acid |
IUPAC Name: | 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid |
Description: | 5-(Trifluoroacetyl)thiophene-2-carboxylic Acid is a reagent for fluoroacetylthiophene oxadiazoles as class II human histone deacetylase inhibitors which is useful for cancer therapy. |
Molecular Weight: | 224.16 |
Molecular Formula: | C7H3F3O3S |
Canonical SMILES: | C1=C(SC(=C1)C(=O)O)C(=O)C(F)(F)F |
InChI: | InChI=1S/C7H3F3O3S/c8-7(9,10)5(11)3-1-2-4(14-3)6(12)13/h1-2H,(H,12,13) |
InChI Key: | CMNFOQDCQDBAGO-UHFFFAOYSA-N |
References: | Muraglia, E., et al. Bioorg. Med. Chem. Lett., 23, 6083 (2008); Minucci, S., et al. Nat. Rev. Cancer, 6, 38 (2006); Ontoria, J.M., et al. J. Med. Chem., 52, 6782 (2009). |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.97549961 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.97549961 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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