Methyl 3-(5-Fluoro-3-indolyl)propanoate - CAS 1055293-79-2
Catalog: |
BB001661 |
Product Name: |
Methyl 3-(5-Fluoro-3-indolyl)propanoate |
CAS: |
1055293-79-2 |
Synonyms: |
3-(5-fluoro-1H-indol-3-yl)propanoic acid methyl ester; methyl 3-(5-fluoro-1H-indol-3-yl)propanoate |
IUPAC Name: | methyl 3-(5-fluoro-1H-indol-3-yl)propanoate |
Description: | Methyl 3-(5-Fluoro-3-indolyl)propanoate (CAS# 1055293-79-2 ) is a useful research chemical. |
Molecular Weight: | 221.23 |
Molecular Formula: | C12H12FNO2 |
Canonical SMILES: | COC(=O)CCC1=CNC2=C1C=C(C=C2)F |
InChI: | InChI=1S/C12H12FNO2/c1-16-12(15)5-2-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3 |
InChI Key: | FEESKGKMZVPTOX-UHFFFAOYSA-N |
LogP: | 2.41260 |
Publication Number | Title | Priority Date |
AU-2008222810-A1 | PPAR active compounds | 20070308 |
CA-2679411-A1 | Ppar active compounds | 20070308 |
EP-2114879-A1 | Ppar active compounds | 20070308 |
JP-2010520877-A | PPAR active compounds | 20070308 |
KR-20090118055-A | PPC active compound | 20070308 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08520679 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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