| CAS Number | 85014-02-4 |
| Catalog Number | AG004Q0A(AGN-PC-002YM9) |
| Chemical Name | Cyclohexyl 4-fluorophenyl ketone |
| IUPAC Name | cyclohexyl-(4-fluorophenyl)methanone |
| InChI | InChI=1S/C13H15FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10H,1-5H2 |
| InChI Key | QDAMRMWTBRLMEG-UHFFFAOYSA-N |
| MDL Number | MFCD03841354 |
| Molecular Formula | C13H15FO |
| Molecular Weight | 206.2560 |
| SMILES | FC1=CC=C(C(C2CCCCC2)=O)C=C1 |
| Synonyms | 85014-02-4,
CYCLOHEXYL 4-FLUOROPHENYL KETONE,
Cyclohexyl(4-fluorophenyl)methanone,
4-Fluorophenyl cyclohexyl ketone,
4-Fluorobenzoylcyclohexane,
SCHEMBL6468965,
CTK5F3697,
DTXSID20565207,
QDAMRMWTBRLMEG-UHFFFAOYSA-N,
ZINC2514407,
MFCD03841354,
cyclohexyl-(4-fluorophenyl)-methanone,
AKOS000346344,
cyclohexyl-(4-fluoro-phenyl)-methanone,
MCULE-6333306088,
NS-02236,
Z2738358197,
CYCLOHEXYL4-FLUOROPHENYLKETONE,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.26g/mol |
| Monoisotopic Mass | 206.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number