| CAS Number | 1071715-08-6 |
| Catalog Number | AG019Z5L |
| Chemical Name | methyl 3-(2,4-dichlorophenoxy)propanoate |
| IUPAC Name | methyl 3-(2,4-dichlorophenoxy)propanoate |
| InChI | InChI=1S/C10H10Cl2O3/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3 |
| InChI Key | MKNBYTBUULRHFA-UHFFFAOYSA-N |
| MDL Number | MFCD00152418 |
| Molecular Formula | C10H10Cl2O3 |
| Molecular Weight | 249.0906 |
| SMILES | COC(CCOC1=C(Cl)C=C(Cl)C=C1)=O |
| Synonyms | methyl 3-(2,4-dichlorophenoxy)propanoate,
1071715-08-6,
ZINC34937359,
AKOS005201926,
MCULE-5752822118,
NE28999,
3-(2,4-Dichlorophenoxy)propionic acid methyl ester,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.087g/mol |
| Monoisotopic Mass | 248.001g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number