| CAS Number | 698378-76-6 |
| Catalog Number | AG00FH5A(AGN-PC-0TWYCL) |
| Chemical Name | Benzeneacetic acid, α,α,2-trifluoro-, ethyl ester |
| IUPAC Name | ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate |
| InChI | InChI=1S/C10H9F3O2/c1-2-15-9(14)10(12,13)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3 |
| InChI Key | VTTGEZSPJKXKAF-UHFFFAOYSA-N |
| MDL Number | MFCD16779252 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | CCOC(C(C1=C(F)C=CC=C1)(F)F)=O |
| Synonyms | ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate,
698378-76-6,
SCHEMBL1477878,
VTTGEZSPJKXKAF-UHFFFAOYSA-N,
ZINC52887823,
AKOS011781670,
MCULE-7111549774,
difluoro-(2-fluorophenyl)-acetic acid ethyl ester,
Z1526453855,
Benzeneacetic acid, alpha,alpha,2-trifluoro-, ethyl ester,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number