Methyl 3,3,3-Trifluoro-2-phenylpropionate - CAS 184414-29-7
Catalog: |
BB014136 |
Product Name: |
Methyl 3,3,3-Trifluoro-2-phenylpropionate |
CAS: |
184414-29-7 |
Synonyms: |
3,3,3-trifluoro-2-phenylpropanoic acid methyl ester; methyl 3,3,3-trifluoro-2-phenylpropanoate |
IUPAC Name: | methyl 3,3,3-trifluoro-2-phenylpropanoate |
Description: | Methyl 3,3,3-Trifluoro-2-phenylpropionate (CAS# 184414-29-7 ) is a useful research chemical. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | COC(=O)C(C1=CC=CC=C1)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O2/c1-15-9(14)8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3 |
InChI Key: | KJBFYUNCVGESFQ-UHFFFAOYSA-N |
LogP: | 2.50550 |
Publication Number | Title | Priority Date |
CN-107033006-A | A kind of preparation method of diaryl ketone | 20160204 |
CN-107033006-B | A kind of preparation method of diaryl ketone | 20160204 |
CN-105985241-A | Inhibition effect of [alpha]-substituted phenyl acetate compounds on [alpha]-glycosidase and application of the compounds | 20150127 |
CN-102093385-B | Schiff base compounds as well as preparation method and application of Schiff base compounds | 20101230 |
JP-2008195678-A | Process for producing 2-substituted phenyl-3,3-difluoroacrylate derivatives | 20070215 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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