6-Chloro-2,5-dimethylpyridazin-3(2H)-one - CAS 1114563-59-5

Catalog:	BB002764
Product Name:	6-Chloro-2,5-dimethylpyridazin-3(2H)-one
CAS:	1114563-59-5
Synonyms:	6-chloro-2,5-dimethyl-3-pyridazinone; 6-chloro-2,5-dimethylpyridazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-2,5-dimethylpyridazin-3-one
Description:	6-Chloro-2,5-dimethylpyridazin-3(2H)-one (CAS# 1114563-59-5 ) is a useful research chemical.
Molecular Weight:	158.59
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	CC1=CC(=O)N(N=C1Cl)C
InChI:	InChI=1S/C6H7ClN2O/c1-4-3-5(10)9(2)8-6(4)7/h3H,1-2H3
InChI Key:	ROTULOMPEFVIJR-UHFFFAOYSA-N
LogP:	0.74210

Publication Number	Title	Priority Date
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
EP-3901139-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
US-2020155538-A1	Quinoline derivatives	20181030
WO-2020092375-A1	Quinoline derivatives as alpha4beta7 integrin inhibitors	20181030
TW-202033492-A	Quinoline derivatives	20181030

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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9