| CAS Number | 40503-83-1 |
| Catalog Number | AG01A695(AGN-PC-0WO99L) |
| Chemical Name | 4-(3-fluorophenyl)-4-hydroxycyclohexan-1-one |
| IUPAC Name | 4-(3-fluorophenyl)-4-hydroxycyclohexan-1-one |
| InChI | InChI=1S/C12H13FO2/c13-10-3-1-2-9(8-10)12(15)6-4-11(14)5-7-12/h1-3,8,15H,4-7H2 |
| InChI Key | YQCKMDRTWIMKNB-UHFFFAOYSA-N |
| MDL Number | MFCD21321233 |
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.2288 |
| SMILES | OC1(C2=CC(F)=CC=C2)CCC(=O)CC1 |
| Synonyms | 4-(3-fluorophenyl)-4-hydroxycyclohexan-1-one,
40503-83-1,
Cyclohexanone, 4-(3-fluorophenyl)-4-hydroxy-,
ZINC84323337,
AKOS015259370,
NE49066,
|
| Complexity | 242 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.232g/mol |
| Monoisotopic Mass | 208.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number