| CAS Number | 1027514-17-5 |
| Catalog Number | AG01F32U(AGN-PC-3H48OK) |
| Chemical Name | Ethyl (3,4-Dimethylphenyl)difluoroacetate |
| IUPAC Name | ethyl 2-(3,4-dimethylphenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C12H14F2O2/c1-4-16-11(15)12(13,14)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChI Key | RPOLHMZVPIJUDP-UHFFFAOYSA-N |
| MDL Number | MFCD11007717 |
| Molecular Formula | C12H14F2O2 |
| Molecular Weight | 228.2352 |
| SMILES | CCOC(=O)C(C1=CC=C(C)C(=C1)C)(F)F |
| Synonyms | Ethyl (3,4-Dimethylphenyl)difluoroacetate,
1027514-17-5,
SCHEMBL18561004,
ZINC31829527,
AKOS011839059,
Ethyl 2,2-difluoro-2-(3,4-dimethylphenyl)acetate,
ethyl-2,2-difluoro-2-(3,4-dimethylphenyl)acetate,
|
| 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