| CAS Number | 1569-03-5 |
| Catalog Number | AG019PQT(AGN-PC-0027VF) |
| Chemical Name | propyl 2-chloropropanoate |
| IUPAC Name | propyl 2-chloropropanoate |
| InChI | InChI=1S/C6H11ClO2/c1-3-4-9-6(8)5(2)7/h5H,3-4H2,1-2H3 |
| InChI Key | XVDQGLUGZORASO-UHFFFAOYSA-N |
| MDL Number | MFCD06252278 |
| Molecular Formula | C6H11ClO2 |
| Molecular Weight | 150.6033 |
| SMILES | CCCOC(C(Cl)C)=O |
| Synonyms | Propyl 2-chloropropanoate,
Propyl 2-chloropropionate,
1569-03-5,
Propionic acid, 2-chloro-, propyl ester,
2-chloro-propionic acid propyl ester,
Propyl 2-chloropropanoate #,
AC1L39V8,
SCHEMBL2329767,
XVDQGLUGZORASO-UHFFFAOYSA-N,
SBB060963,
AKOS006295329,
MCULE-6753282934,
NE13138,
ST51047048,
EN300-86020,
CID137086,
Propanoic acid, 2-chloro-, propyl ester,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.602g/mol |
| Monoisotopic Mass | 150.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number