| CAS Number | 1035261-07-4 |
| Catalog Number | AG00HA3B(AGN-PC-0WQWTE) |
| Chemical Name | Ethyl 2-(4-fluorophenyl)-2-methylpropanoate |
| IUPAC Name | ethyl 2-(4-fluorophenyl)-2-methylpropanoate |
| InChI | InChI=1S/C12H15FO2/c1-4-15-11(14)12(2,3)9-5-7-10(13)8-6-9/h5-8H,4H2,1-3H3 |
| InChI Key | AZIDQFWQOZRJFX-UHFFFAOYSA-N |
| MDL Number | MFCD16748922 |
| Molecular Formula | C12H15FO2 |
| Molecular Weight | 210.2447 |
| SMILES | CC(C)(C1=CC=C(F)C=C1)C(OCC)=O |
| Synonyms | ethyl 2-(4-fluorophenyl)-2-methylpropanoate,
1035261-07-4,
SCHEMBL1626657,
AZIDQFWQOZRJFX-UHFFFAOYSA-N,
ZINC52233137,
AKOS011681032,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.248g/mol |
| Monoisotopic Mass | 210.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number