Ethyl 2,2-Difluoro-2-(4-methoxyphenyl)acetate - CAS 112545-98-9
Catalog: |
BB002993 |
Product Name: |
Ethyl 2,2-Difluoro-2-(4-methoxyphenyl)acetate |
CAS: |
112545-98-9 |
Synonyms: |
2,2-difluoro-2-(4-methoxyphenyl)acetic acid ethyl ester; ethyl 2,2-difluoro-2-(4-methoxyphenyl)acetate |
IUPAC Name: | ethyl 2,2-difluoro-2-(4-methoxyphenyl)acetate |
Description: | Ethyl 2,2-Difluoro-2-(4-methoxyphenyl)acetate (CAS# 112545-98-9 ) is a useful research chemical. |
Molecular Weight: | 230.21 |
Molecular Formula: | C11H12F2O3 |
Canonical SMILES: | CCOC(=O)C(C1=CC=C(C=C1)OC)(F)F |
InChI: | InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3 |
InChI Key: | NYSRHWGDMXRSMT-UHFFFAOYSA-N |
LogP: | 2.35010 |
Publication Number | Title | Priority Date |
US-2019322676-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20161220 |
WO-2018118838-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20161220 |
JP-2010116363-A | Method for producing 2-aryl-2,2-difluoroacetic acid ester | 20081114 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.07545056 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.07545056 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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