| CAS Number | 1027514-27-7 |
| Catalog Number | AG01F34T(AGN-PC-3H48OJ) |
| Chemical Name | Ethyl 2,2-difluoro-2-(4-isopropylphenyl)acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(4-propan-2-ylphenyl)acetate |
| InChI | InChI=1S/C13H16F2O2/c1-4-17-12(16)13(14,15)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3 |
| InChI Key | CRNSFQGKWLNQLK-UHFFFAOYSA-N |
| MDL Number | MFCD11007725 |
| Molecular Formula | C13H16F2O2 |
| Molecular Weight | 242.2617 |
| SMILES | CCOC(=O)C(F)(F)C1=CC=C(C=C1)C(C)C |
| Synonyms | Ethyl 2,2-Difluoro-2-(4-isopropylphenyl)acetate,
1027514-27-7,
Ethyl Difluoro-(4-isopropylphenyl)acetate,
ethyl-2,2-difluoro-2-(4-isopropylphenyl)acetate,
SCHEMBL17420736,
CTK6F3926,
CRNSFQGKWLNQLK-UHFFFAOYSA-N,
ZINC31829535,
AKOS012096506,
FS-6443,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.266g/mol |
| Monoisotopic Mass | 242.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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