| CAS Number | 922-48-5 |
| Catalog Number | AG019YXF(AGN-PC-000AG1) |
| Chemical Name | 6-Chloro-2-methylhexan-3-one |
| IUPAC Name | 6-chloro-2-methylhexan-3-one |
| InChI | InChI=1S/C7H13ClO/c1-6(2)7(9)4-3-5-8/h6H,3-5H2,1-2H3 |
| InChI Key | TXSSNLJHPDNELJ-UHFFFAOYSA-N |
| MDL Number | MFCD19232457 |
| Molecular Formula | C7H13ClO |
| Molecular Weight | 148.6305 |
| SMILES | CC(C(CCCCl)=O)C |
| Synonyms | 6-chloro-2-methylhexan-3-one,
6-chloro-2-methyl-3-hexanone,
922-48-5,
SCHEMBL3678383,
AKOS006385305,
3-Hexanone, 6-chloro-2-methyl-,
|
| Complexity | 88.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.63g/mol |
| Monoisotopic Mass | 148.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number