| CAS Number | 1027514-03-9 |
| Catalog Number | AG01F2J2(AGN-PC-3H48N1) |
| Chemical Name | Ethyl Difluoro-(4-methoxy-3,5-dimethylphenyl)-acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(4-methoxy-3,5-dimethylphenyl)acetate |
| InChI | InChI=1S/C13H16F2O3/c1-5-18-12(16)13(14,15)10-6-8(2)11(17-4)9(3)7-10/h6-7H,5H2,1-4H3 |
| InChI Key | OZIJSRMKKLGQFV-UHFFFAOYSA-N |
| MDL Number | MFCD11007705 |
| Molecular Formula | C13H16F2O3 |
| Molecular Weight | 258.2611 |
| SMILES | C(C(OCC)=O)(F)(F)C1C=C(C)C(OC)=C(C)C=1 |
| Synonyms | 1027514-03-9,
Ethyl Difluoro-(4-methoxy-3,5-dimethylphenyl)-acetate,
ethyl-2,2-difluoro-2-(3,5-dimethyl-4-methoxyphenyl)-acetate,
DTXSID30653442,
ZINC31829515,
Ethyl difluoro(4-methoxy-3,5-dimethylphenyl)acetate,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.265g/mol |
| Monoisotopic Mass | 258.107g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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