| CAS Number | 1461708-22-4 |
| Catalog Number | AG01A694(AGN-PC-0WO4AV) |
| Chemical Name | 4-(3-chlorophenyl)-4-hydroxycyclohexan-1-one |
| IUPAC Name | 4-(3-chlorophenyl)-4-hydroxycyclohexan-1-one |
| InChI | InChI=1S/C12H13ClO2/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 | FXIHJHPNEGAZFD-UHFFFAOYSA-N |
| MDL Number | MFCD21321147 |
| Molecular Formula | C12H13ClO2 |
| Molecular Weight | 224.6834 |
| SMILES | OC1(C2=CC(Cl)=CC=C2)CCC(=O)CC1 |
| Synonyms | 4-(3-chlorophenyl)-4-hydroxycyclohexan-1-one,
1461708-22-4,
SCHEMBL11796632,
ZINC84323117,
AKOS015256800,
MCULE-5733528688,
NE50613,
4-(3-Chlorophenyl)-4-hydroxycyclohexanone, AldrichCPR,
Z1649677741,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.684g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number