Methyl 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionate - CAS 1435442-22-0
Catalog: |
BB009621 |
Product Name: |
Methyl 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionate |
CAS: |
1435442-22-0 |
Synonyms: |
3-oxo-3-[2-(trifluoromethoxy)phenyl]propanoic acid methyl ester; methyl 3-oxo-3-[2-(trifluoromethoxy)phenyl]propanoate |
IUPAC Name: | methyl 3-oxo-3-[2-(trifluoromethoxy)phenyl]propanoate |
Description: | Methyl 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionate (CAS# 1435442-22-0 ) is a useful research chemical. |
Molecular Weight: | 262.18 |
Molecular Formula: | C11H9F3O4 |
Canonical SMILES: | COC(=O)CC(=O)C1=CC=CC=C1OC(F)(F)F |
InChI: | InChI=1S/C11H9F3O4/c1-17-10(16)6-8(15)7-4-2-3-5-9(7)18-11(12,13)14/h2-5H,6H2,1H3 |
InChI Key: | WGYMXJCHGUVRRX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3148972-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
EP-3148972-B1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
TW-201625552-A | Pyrazolone derivative as a nitroxide group | 20140527 |
US-2015344437-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
US-9682938-B2 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.04529325 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.04529325 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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