| CAS Number | 71434-08-7 |
| Catalog Number | AG01B854(AGN-PC-06UV63) |
| Chemical Name | 1-(4-fluorophenyl)-4-methoxybutan-1-one |
| IUPAC Name | 1-(4-fluorophenyl)-4-methoxybutan-1-one |
| InChI | InChI=1S/C11H13FO2/c1-14-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3 |
| InChI Key | FHVFOXDMGYCEID-UHFFFAOYSA-N |
| MDL Number | MFCD12058711 |
| Molecular Formula | C11H13FO2 |
| Molecular Weight | 196.2181 |
| SMILES | COCCCC(C1=CC=C(F)C=C1)=O |
| Synonyms | 1-(4-fluorophenyl)-4-methoxybutan-1-one,
71434-08-7,
ZINC37329910,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.221g/mol |
| Monoisotopic Mass | 196.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number