| CAS Number | 96129-66-7 |
| Catalog Number | AG01ALHI(AGN-PC-00MQPI) |
| Chemical Name | Methyl 2-(2,5-Dichlorophenyl)acetate |
| IUPAC Name | methyl 2-(2,5-dichlorophenyl)acetate |
| InChI | InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3 |
| InChI Key | VOIWSHPZFSPALW-UHFFFAOYSA-N |
| MDL Number | MFCD28900336 |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.0646 |
| SMILES | COC(CC1=C(Cl)C=CC(Cl)=C1)=O |
| Synonyms | methyl 2-(2,5-dichlorophenyl)acetate,
96129-66-7,
SCHEMBL7133160,
ZINC34068657,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.061g/mol |
| Monoisotopic Mass | 217.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number