| CAS Number | 118688-48-5 |
| Catalog Number | AG01AIHE(AGN-PC-0JSF0K) |
| Chemical Name | Ethyl 2-chloropentanoate |
| IUPAC Name | ethyl 2-chloropentanoate |
| InChI | InChI=1S/C7H13ClO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3 |
| InChI Key | ZAOIIUSDMKVQJW-UHFFFAOYSA-N |
| MDL Number | MFCD16694312 |
| Molecular Formula | C7H13ClO2 |
| Molecular Weight | 164.6299 |
| SMILES | CCCC(C(OCC)=O)Cl |
| Synonyms | ethyl 2-chloropentanoate,
Pentanoic acid, 2-chloro, methyl ester,
118688-48-5,
AC1LB5ZL,
SCHEMBL8149342,
CTK6D3572,
ZAOIIUSDMKVQJW-UHFFFAOYSA-N,
2-chloro-pentanoic acid ethyl ester,
AKOS011508506,
NE46874,
EN300-77825,
CID529993,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.629g/mol |
| Monoisotopic Mass | 164.06g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number