3-Chloro-6-(1,1,2,2,2-pentafluoroethyl)pyridazine - CAS 1206524-29-9

Catalog:	BB069668
Product Name:	3-Chloro-6-(1,1,2,2,2-pentafluoroethyl)pyridazine
CAS:	1206524-29-9
Synonyms:	3-Chloro-6-(perfluoroethyl)pyridazine; 3-Chloro-6-(1,1,2,2,2-pentafluoroethyl)pyridazine; 3-Chloro-6-(pentafluoroethyl)pyridazine; 3-Chloro-6-pentafluoroethyl-pyridazine

Technical Data

IUPAC Name:	3-chloro-6-(1,1,2,2,2-pentafluoroethyl)pyridazine
Description:	3-Chloro-6-(1,1,2,2,2-pentafluoroethyl)pyridazine is used to prepare midazopyridazine compounds as agricultural and horticultural insecticides.
Molecular Weight:	232.54
Molecular Formula:	C6H2ClF5N2
Canonical SMILES:	C1=CC(=NN=C1C(C(F)(F)F)(F)F)Cl
InChI:	InChI=1S/C6H2ClF5N2/c7-4-2-1-3(13-14-4)5(8,9)6(10,11)12/h1-2H
InChI Key:	XRRFQVMMNMMJJY-UHFFFAOYSA-N
References:	Yonemura, I., et al. PCT Int. Appl. (2016), WO 2016039441 A1 20160317.

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.9826666
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.9826666
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4