Ethyl 3-(3,5-Difluorophenyl)-3-oxopropionate - CAS 359424-42-3
Catalog: |
BB022806 |
Product Name: |
Ethyl 3-(3,5-Difluorophenyl)-3-oxopropionate |
CAS: |
359424-42-3 |
Synonyms: |
3-(3,5-difluorophenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(3,5-difluorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(3,5-difluorophenyl)-3-oxopropanoate |
Description: | Ethyl 3-(3,5-Difluorophenyl)-3-oxopropionate (CAS# 359424-42-3 ) is a useful research chemical. |
Molecular Weight: | 228.19 |
Molecular Formula: | C11H10F2O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=CC(=C1)F)F |
InChI: | InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3 |
InChI Key: | SJQAWRHMPXRCRM-UHFFFAOYSA-N |
MDL: | MFCD07783525 |
LogP: | 2.10070 |
Publication Number | Title | Priority Date |
EP-2617723-A2 | Novel compound acting as a cannabinoid receptor-1 inhibitor | 20100831 |
JP-2013536836-A | Novel compounds as cannabinoid 1 receptor inhibitors | 20100831 |
JP-5859544-B2 | Novel compounds as cannabinoid 1 receptor inhibitors | 20100831 |
KR-101914161-B1 | Novel compound acting as a cannabinoid receptor-1 inhibitor | 20100831 |
KR-20130099930-A | Novel compounds act as cannabinoid 1 receptor inhibitors | 20100831 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0598005 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0598005 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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