Methyl (2,6-Dichlorophenoxy)acetate - CAS 1928-49-0
Catalog: |
BB059099 |
Product Name: |
Methyl (2,6-Dichlorophenoxy)acetate |
CAS: |
1928-49-0 |
Synonyms: |
Methyl 2-(2,6-Dichlorophenoxy)acetate |
IUPAC Name: | methyl 2-(2,6-dichlorophenoxy)acetate |
Description: | Methyl (2,6-Dichlorophenoxy)acetate is a useful synthesis intermediate for the chemical industry. It is used in the preparation of pyrido-pyrimidinone derivatives which are potential antidiabetics. |
Molecular Weight: | 235.06 |
Molecular Formula: | C9H8Cl2O3 |
Canonical SMILES: | COC(=O)COC1=C(C=CC=C1Cl)Cl |
InChI: | InChI=1S/C9H8Cl2O3/c1-13-8(12)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3 |
InChI Key: | BCPPNSKJFSXSAU-UHFFFAOYSA-N |
References: | Simon-Szabo, L., et al. Bioorg. Med. Chem. Lett., 26, 424 (2016); Jia, H., et al. Henan Huagong, 25, 28 (2008). |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.9850495 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.9850495 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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