| CAS Number | 1027514-11-9 |
| Catalog Number | AG01F3MQ(AGN-PC-3H48PP) |
| Chemical Name | Ethyl (4-Butylphenyl)difluoroacetate |
| IUPAC Name | ethyl 2-(4-butylphenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C14H18F2O2/c1-3-5-6-11-7-9-12(10-8-11)14(15,16)13(17)18-4-2/h7-10H,3-6H2,1-2H3 |
| InChI Key | FEEVNRHGNOPKOM-UHFFFAOYSA-N |
| MDL Number | MFCD11007713 |
| Molecular Formula | C14H18F2O2 |
| Molecular Weight | 256.2883 |
| SMILES | CCCCC1=CC=C(C=C1)C(C(=O)OCC)(F)F |
| Synonyms | Ethyl (4-Butylphenyl)difluoroacetate,
1027514-11-9,
ethyl-2,2-difluoro-2-(4-n-butylphenyl)acetate,
DTXSID90653443,
ZINC31829523,
AKOS026671440,
Ethyl (4-butylphenyl)(difluoro)acetate,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.293g/mol |
| Monoisotopic Mass | 256.127g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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