| CAS Number | 1157687-85-8 |
| Catalog Number | AG01C1NI |
| Chemical Name | 4-Ethoxy-1-(4-fluorophenyl)butan-1-one |
| IUPAC Name | 4-ethoxy-1-(4-fluorophenyl)butan-1-one |
| InChI | InChI=1S/C12H15FO2/c1-2-15-9-3-4-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3 |
| InChI Key | SGWVEUQFTIBIPG-UHFFFAOYSA-N |
| MDL Number | MFCD12058717 |
| Molecular Formula | C12H15FO2 |
| Molecular Weight | 210.2447 |
| SMILES | CCOCCCC(C1=CC=C(F)C=C1)=O |
| Synonyms | 4-ethoxy-1-(4-fluorophenyl)butan-1-one,
1157687-85-8,
ZINC37329922,
AKOS009980292,
Z2238520100,
|
| Complexity | 186 |
| 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 | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number