| CAS Number | 17042-21-6 |
| Catalog Number | AG007UDH(AGN-PC-00GQSE) |
| Chemical Name | 2-Chloropentan-3-one |
| IUPAC Name | 2-chloropentan-3-one |
| InChI | InChI=1S/C5H9ClO/c1-3-5(7)4(2)6/h4H,3H2,1-2H3 |
| InChI Key | ABCRJWMADDBQFJ-UHFFFAOYSA-N |
| MDL Number | MFCD00155432 |
| Molecular Formula | C5H9ClO |
| Molecular Weight | 120.5774 |
| SMILES | CCC(C(Cl)C)=O |
| Synonyms | 2-chloropentan-3-one,
17042-21-6,
3-Pentanone, 2-chloro-,
2-Chloro-3-pentanone,
2-Chlorpentanon-3 Wasser,
SCHEMBL5492354,
CTK0H2099,
DTXSID80455276,
AKOS010226417,
CID11105353,
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| Complexity | 70.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.576g/mol |
| Monoisotopic Mass | 120.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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