| CAS Number | 1225537-74-5 |
| Catalog Number | AG01B93Y |
| Chemical Name | 5-(4-chloro-3-methylphenoxy)pentan-2-one |
| IUPAC Name | 5-(4-chloro-3-methylphenoxy)pentan-2-one |
| InChI | InChI=1S/C12H15ClO2/c1-9-8-11(5-6-12(9)13)15-7-3-4-10(2)14/h5-6,8H,3-4,7H2,1-2H3 |
| InChI Key | IDMRWVREYAEWKH-UHFFFAOYSA-N |
| MDL Number | MFCD16165536 |
| Molecular Formula | C12H15ClO2 |
| Molecular Weight | 226.6993 |
| SMILES | CC(CCCOC1=CC(C)=C(Cl)C=C1)=O |
| Synonyms | 5-(4-chloro-3-methylphenoxy)pentan-2-one,
1225537-74-5,
ZINC41247720,
AKOS011305043,
Z2009833100,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.7g/mol |
| Monoisotopic Mass | 226.076g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number