6-(Trifluoromethyl)benzofuran-3(2H)-one - CAS 872191-30-5
Catalog: |
BB038338 |
Product Name: |
6-(Trifluoromethyl)benzofuran-3(2H)-one |
CAS: |
872191-30-5 |
Synonyms: |
6-(trifluoromethyl)-3-benzofuranone; 6-(trifluoromethyl)-1-benzofuran-3-one |
IUPAC Name: | 6-(trifluoromethyl)-1-benzofuran-3-one |
Description: | 6-(Trifluoromethyl)benzofuran-3(2H)-one (CAS# 872191-30-5 ) is a useful research chemical. |
Molecular Weight: | 202.13 |
Molecular Formula: | C9H5F3O2 |
Canonical SMILES: | C1C(=O)C2=C(O1)C=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C9H5F3O2/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-3H,4H2 |
InChI Key: | NYPVXCUFWKLCLX-UHFFFAOYSA-N |
LogP: | 2.28050 |
Publication Number | Title | Priority Date |
JP-WO2013100018-A1 | Heterocyclic compounds | 20111228 |
WO-2013100018-A1 | Heterocyclic compound | 20111228 |
EP-1861092-A1 | Potassium channel opener having benzofuroindole skeleton | 20050310 |
EP-1861092-A4 | OPENER OF POTASSIUM CHANNEL WITH BENZOFUROINDOLE SKELETON | 20050310 |
EP-1861092-B1 | Potassium channel opener having benzofuroindole skeleton | 20050310 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.02416388 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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