| CAS Number | 63461-44-9 |
| Catalog Number | AG01B1CS(AGN-PC-05XWHZ) |
| Chemical Name | methyl 2-(3,4-dichlorophenoxy)propanoate |
| IUPAC Name | methyl 2-(3,4-dichlorophenoxy)propanoate |
| InChI | InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3 |
| InChI Key | VLOZEQCBXBDHME-UHFFFAOYSA-N |
| MDL Number | MFCD03942994 |
| Molecular Formula | C10H10Cl2O3 |
| Molecular Weight | 249.0906 |
| SMILES | COC(C(OC1=CC(Cl)=C(Cl)C=C1)C)=O |
| Synonyms | methyl 2-(3,4-dichlorophenoxy)propanoate,
63461-44-9,
AC1NBSKC,
STK434839,
AKOS003291412,
AKOS017265716,
MCULE-1415775931,
NE62025,
ST50842103,
CID4498728,
|
| Complexity | 223 |
| 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 | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number