| CAS Number | 1247164-66-4 |
| Catalog Number | AG01BDFC(AGN-PC-0WOQBO) |
| Chemical Name | Methyl 2-chloro-2-(3,4-dichlorophenyl)acetate |
| IUPAC Name | methyl 2-chloro-2-(3,4-dichlorophenyl)acetate |
| InChI | InChI=1S/C9H7Cl3O2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3 |
| InChI Key | DAAJZIHFRZPQLE-UHFFFAOYSA-N |
| MDL Number | MFCD16694228 |
| Molecular Formula | C9H7Cl3O2 |
| Molecular Weight | 253.5097 |
| SMILES | COC(C(C1=CC(Cl)=C(Cl)C=C1)Cl)=O |
| Synonyms | methyl 2-chloro-2-(3,4-dichlorophenyl)acetate,
1247164-66-4,
methyl chloro(3,4-dichlorophenyl)acetate,
SCHEMBL5487986,
MFCD16694228,
AKOS011507695,
NE16062,
BS-12452,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.503g/mol |
| Monoisotopic Mass | 251.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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