Dimethyl 2-(3,5-dichlorophenyl)malonate - CAS 1443329-48-3
Catalog: |
BB068351 |
Product Name: |
Dimethyl 2-(3,5-dichlorophenyl)malonate |
CAS: |
1443329-48-3 |
Synonyms: |
1,3-Dimethyl 2-(3,5-dichlorophenyl)propanedioate;Des-[N-[(Chlorothiazolyl)methyl]-3-methyl-2-pyridinamine] Dichloromethyl Dicloromezotia |
IUPAC Name: | dimethyl 2-(3,5-dichlorophenyl)propanedioate |
Description: | Dimethyl 2-(3,5-dichlorophenyl)malonate is an intermediate in the synthesis of Dicloromezotiaz (D434402), a commercial pest control agent. Dicloromezotiaz can provide a useful control tool for lepidopteran pests, with an underexploited mode of action among these pests. A mesoionic insecticide. |
Molecular Weight: | 277.1 |
Molecular Formula: | C11H10Cl2O4 |
Canonical SMILES: | COC(=O)C(C1=CC(=CC(=C1)Cl)Cl)C(=O)OC |
InChI: | InChI=1S/C11H10Cl2O4/c1-16-10(14)9(11(15)17-2)6-3-7(12)5-8(13)4-6/h3-5,9H,1-2H3 |
InChI Key: | MYJACJGIRSMGIO-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Ethyl Acetate; Methanol |
References: | Zhang, W. Acc. Chem. Res., 50, 2381 (2017); Holyoke, C. W., et al. Pest Manag. Sci., 73, 796 (2017). |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.9956142 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.9956142 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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