| CAS Number | 272440-70-7 |
| Catalog Number | AG01F9MW(AGN-PC-0R31EL) |
| Chemical Name | Ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate |
| IUPAC Name | ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C12H14F2O2/c1-4-16-11(15)12(13,14)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3 |
| InChI Key | PKFAWWWWIJYIOZ-UHFFFAOYSA-N |
| MDL Number | MFCD16794457 |
| Molecular Formula | C12H14F2O2 |
| Molecular Weight | 228.2352 |
| SMILES | CCOC(=O)C(c1cc(C)ccc1C)(F)F |
| Synonyms | ethyl 2-(2,5-dimethylphenyl)-2,2-difluoroacetate,
272440-70-7,
ZINC53302972,
AKOS011839051,
J3.621.263B,
alpha,alpha-Difluoro-2,5-dimethylbenzeneacetic acid ethyl ester,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.239g/mol |
| Monoisotopic Mass | 228.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number