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3,6-Dichloro-4,5-diethylpyridazine

3,6-Dichloro-4,5-diethylpyridazine - CAS 107228-53-5

Catalog:	BB002006
Product Name:	3,6-Dichloro-4,5-diethylpyridazine
CAS:	107228-53-5
Synonyms:	3,6-dichloro-4,5-diethylpyridazine; 3,6-dichloro-4,5-diethylpyridazine

Technical Data

Patents

Computed Properties

IUPAC Name:	3,6-dichloro-4,5-diethylpyridazine
Description:	3,6-Dichloro-4,5-diethylpyridazine (CAS# 107228-53-5) is a useful research chemical.
Molecular Weight:	205.08
Molecular Formula:	C8H10Cl2N2
Canonical SMILES:	CCC1=C(C(=NN=C1Cl)Cl)CC
InChI:	InChI=1S/C8H10Cl2N2/c1-3-5-6(4-2)8(10)12-11-7(5)9/h3-4H2,1-2H3
InChI Key:	NSDLGPQCQNDHHB-UHFFFAOYSA-N
Boiling Point:	303.2 °C at 760 mmHg
Density:	1.239 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.90820

Publication Number	Title	Priority Date
AU-2009211887-A1	Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments	20080205
AU-2009211887-B2	Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments	20080205
AU-2009211888-A1	Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments	20080205
AU-2009211888-B2	Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments	20080205
CA-2713550-A1	Triazolopyridazines as par1 inhibitors, production thereof, and use as medicaments	20080205

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Related Functional Groups

Halides

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Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0221037
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.0221037
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4