| CAS Number | 50628-91-6 |
| Catalog Number | AG00DFI4(AGN-PC-0JKR34) |
| Chemical Name | Ethyl 8-chloro-6-oxooctanoate |
| IUPAC Name | ethyl 8-chloro-6-oxooctanoate |
| InChI | InChI=1S/C10H17ClO3/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h2-8H2,1H3 |
| InChI Key | NPJCCMWYKLAISW-UHFFFAOYSA-N |
| MDL Number | MFCD01711124 |
| Molecular Formula | C10H17ClO3 |
| Molecular Weight | 220.6932 |
| SMILES | CCOC(=O)CCCCC(=O)CCCl |
| Synonyms | 50628-91-6,
8-Chloro-6-oxooctanoic acid ethyl ester,
8-chloro-6-oxo-octanoic acid ethyl ester,
ethyl 8-chloro-6-oxooctanoate,
OCTANOIC ACID, 8-CHLORO-6-OXO-, ETHYL ESTER,
SCHEMBL991373,
AC1L22D0,
ethyl 6-keto-8-chlorooctanoate,
DTXSID40198672,
ZINC2005689,
AKOS027324996,
ACN-049257,
ACM50628916,
LS-97959,
FT-0664853,
Ethyl-6-oxo-8-chloroctanoate,
C10-H17-Cl-O3,
CID39744,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.693g/mol |
| Monoisotopic Mass | 220.087g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number