| CAS Number | 36716-71-9 |
| Catalog Number | AG00C9C6(AGN-PC-0NDFZL) |
| Chemical Name | 4-(4-Chlorophenyl)-4-hydroxycyclohexanone |
| IUPAC Name | 4-(4-chlorophenyl)-4-hydroxycyclohexan-1-one |
| InChI | InChI=1S/C12H13ClO2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,15H,5-8H2 |
| InChI Key | WEMZPTVFMJNMRK-UHFFFAOYSA-N |
| MDL Number | MFCD16251306 |
| Molecular Formula | C12H13ClO2 |
| Molecular Weight | 224.6834 |
| SMILES | OC1(CCC(=O)CC1)c2ccc(Cl)cc2 |
| Synonyms | 4-(4-CHLOROPHENYL)-4-HYDROXYCYCLOHEXANONE,
36716-71-9,
Cyclohexanone, 4-(4-chlorophenyl)-4-hydroxy-,
SCHEMBL613957,
CTK8F5360,
DTXSID80449695,
WEMZPTVFMJNMRK-UHFFFAOYSA-N,
ZINC35636710,
AKOS015151981,
4-(p-Chlorophenyl)-4-hydroxycyclohexanone,
FT-0664902,
4-(4-chloro-phenyl)-4-hydroxy-cyclohexanone,
CID10955227,
4-(4-chlorophenyl)-4-hydroxy-cyclohexan-1-one,
|
| Complexity | 234 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number