Methyl 2,5,6-Trichloropyrimidine-4-carboxylate - CAS 89284-85-5
Catalog: |
BB039414 |
Product Name: |
Methyl 2,5,6-Trichloropyrimidine-4-carboxylate |
CAS: |
89284-85-5 |
Synonyms: |
2,5,6-trichloro-4-pyrimidinecarboxylic acid methyl ester; methyl 2,5,6-trichloropyrimidine-4-carboxylate |
IUPAC Name: | methyl 2,5,6-trichloropyrimidine-4-carboxylate |
Description: | Methyl 2,5,6-trichloropyrimidine-4-carboxylate can be used as reactant/reagent in preparation of 7H-pyrrolo[2,3-d]pyrimidine and 1H-pyrrolo[3,2-c]pyridine derivatives as herbicidal compounds. |
Molecular Weight: | 241.46 |
Molecular Formula: | C6H3Cl3N2O2 |
Canonical SMILES: | COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl |
InChI: | InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3 |
InChI Key: | TVFOOGACHSHHSX-UHFFFAOYSA-N |
Boiling Point: | 342.7 °C at 760 mmHg |
Density: | 1.613 g/cm3 |
MDL: | MFCD12025876 |
LogP: | 2.22340 |
Publication Number | Title | Priority Date |
AU-2017287716-A1 | Pyridine-based compound including isoxazoline ring, and use thereof as herbicide | 20160627 |
AU-2017287716-B2 | Pyridine-based compound including isoxazoline ring, and use thereof as herbicide | 20160627 |
CA-3028949-A1 | Pyridine-based compound including isoxazoline ring and use thereof as herbicide | 20160627 |
CN-109561682-A | Pyridine compounds and their comprising isoxazoline ring and its purposes as herbicide | 20160627 |
EP-3479696-A1 | Pyridine-based compound including isoxazoline ring, and use thereof as herbicide | 20160627 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.92601 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.92601 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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