| CAS Number | 1038975-39-1 |
| Catalog Number | AG01A9YL |
| Chemical Name | methyl 3-(2,4,6-trichlorophenoxy)propanoate |
| IUPAC Name | methyl 3-(2,4,6-trichlorophenoxy)propanoate |
| InChI | InChI=1S/C10H9Cl3O3/c1-15-9(14)2-3-16-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3 |
| InChI Key | VTRRSSMDVBTBMK-UHFFFAOYSA-N |
| MDL Number | MFCD11197584 |
| Molecular Formula | C10H9Cl3O3 |
| Molecular Weight | 283.5357 |
| SMILES | COC(CCOC1=C(Cl)C=C(Cl)C=C1Cl)=O |
| Synonyms | methyl 3-(2,4,6-trichlorophenoxy)propanoate,
1038975-39-1,
AC1Q444J,
ZINC20518775,
AKOS008119150,
MCULE-2200937098,
NE15112,
EN300-66562,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.529g/mol |
| Monoisotopic Mass | 281.962g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number