| CAS Number | 1249380-24-2 |
| Catalog Number | AG019T85 |
| Chemical Name | Ethyl 3,5-dichloro-β-hydroxybenzenepropanoate
|
| IUPAC Name | ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate |
| InChI | InChI=1S/C11H12Cl2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5,10,14H,2,6H2,1H3 |
| InChI Key | XBUGBVJVSFWXPF-UHFFFAOYSA-N |
| MDL Number | MFCD16756879 |
| Molecular Formula | C11H12Cl2O3 |
| Molecular Weight | 263.1172 |
| SMILES | C(CC(=O)OCC)(O)c1cc(Cl)cc(Cl)c1 |
| Synonyms | ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate,
1249380-24-2,
SCHEMBL8771001,
AKOS011681695,
MCULE-8087855533,
NE26357,
Z1295559780,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.114g/mol |
| Monoisotopic Mass | 262.016g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number