Methyl 2,5,6-Trichloropyrimidine-4-carboxylate - CAS 89284-85-5

Name: Methyl 2,5,6-Trichloropyrimidine-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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