| CAS Number | 1187-81-1 |
| Catalog Number | AG007PQU(AGN-PC-0NI3WQ) |
| Chemical Name | 5-Chloro-3-methyl-2-pentanone |
| EC Number | 601-565-1 |
| IUPAC Name | 5-chloro-3-methylpentan-2-one |
| InChI | InChI=1S/C6H11ClO/c1-5(3-4-7)6(2)8/h5H,3-4H2,1-2H3 |
| InChI Key | XKEZKJHAYZEVNQ-UHFFFAOYSA-N |
| MDL Number | MFCD19232094 |
| Molecular Formula | C6H11ClO |
| Molecular Weight | 134.6039 |
| SMILES | CC(C(=O)C)CCCl |
| Synonyms | 5-chloro-3-methylpentan-2-one,
1187-81-1,
2-Pentanone, 5-chloro-3-methyl-,
SCHEMBL8355962,
1-chloro-3-methylpentan-4-one,
3-methyl-5-chloro-2-pentanone,
5-chloro-3-methyl-2-pentanone,
CTK0C4370,
DTXSID50480737,
XKEZKJHAYZEVNQ-UHFFFAOYSA-N,
AKOS006386914,
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| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.603g/mol |
| Monoisotopic Mass | 134.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number