| CAS Number | 1342548-85-9 |
| Catalog Number | AG01BUBB |
| Chemical Name | 4-(4-fluorobenzoyl)oxane |
| IUPAC Name | (4-fluorophenyl)-(oxan-4-yl)methanone |
| InChI | InChI=1S/C12H13FO2/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10H,5-8H2 |
| InChI Key | RZAVXOHTGXATST-UHFFFAOYSA-N |
| MDL Number | MFCD17243708 |
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.2288 |
| SMILES | FC1=CC=C(C(C2CCOCC2)=O)C=C1 |
| Synonyms | 4-(4-fluorobenzoyl)oxane,
1342548-85-9,
ZINC61671136,
AKOS012201980,
Z2805897350,
methanone, (4-fluorophenyl)(tetrahydro-2h-pyran-4-yl),
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.232g/mol |
| Monoisotopic Mass | 208.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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