| CAS Number | 58371-98-5 |
| Catalog Number | AG00ELKP(AGN-PC-0JM0HK) |
| Chemical Name | 3,5-Dichloropentan-2-one |
| EC Number | 261-227-0 |
| IUPAC Name | 3,5-dichloropentan-2-one |
| InChI | InChI=1S/C5H8Cl2O/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3 |
| InChI Key | NOSBOKVYSXXKFL-UHFFFAOYSA-N |
| MDL Number | MFCD09907704 |
| Molecular Formula | C5H8Cl2O |
| Molecular Weight | 155.0224 |
| SMILES | ClC(C(C)=O)CCCl |
| Synonyms | 3,5-Dichloropentan-2-one,
58371-98-5,
2-Pentanone, 3,5-dichloro-,
3,5-dichloro-2-pentanone,
3,5-dichloro-pentan-2-one,
EINECS 261-227-0,
AC1L3RDH,
SCHEMBL2407439,
CTK8J4595,
NOSBOKVYSXXKFL-UHFFFAOYSA-N,
AKOS006310527,
C5-H8-Cl2-O,
CID94032,
|
| Complexity | 82.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.018g/mol |
| Monoisotopic Mass | 153.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number