Ethyl 3-(2,5-Difluorophenyl)-3-oxopropionate - CAS 887267-53-0
Catalog: |
BB039161 |
Product Name: |
Ethyl 3-(2,5-Difluorophenyl)-3-oxopropionate |
CAS: |
887267-53-0 |
Synonyms: |
3-(2,5-difluorophenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate |
Description: | Ethyl 3-(2,5-Difluorophenyl)-3-oxopropionate (CAS# 887267-53-0) is a useful research chemical. |
Molecular Weight: | 228.19 |
Molecular Formula: | C11H10F2O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=C(C=CC(=C1)F)F |
InChI: | InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3 |
InChI Key: | FLBIFWLBLQKDAE-UHFFFAOYSA-N |
LogP: | 2.10070 |
Publication Number | Title | Priority Date |
EP-3277673-A1 | Tgf-beta inhibitors | 20150401 |
US-2018086764-A1 | TGF-ß Inhibitors | 20150401 |
WO-2016160881-A1 | TGF-β INHIBITORS | 20150401 |
US-10822337-B2 | TGF-β inhibitorC | 20150401 |
US-2021130361-A1 | TGF-ß INHIBITORS | 20150401 |
Complexity: | 268 |
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: | 2.2 |
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