3-Acetyl-6-chloropyridazine - CAS 214701-31-2

Catalog:	BB016892
Product Name:	3-Acetyl-6-chloropyridazine
CAS:	214701-31-2
Synonyms:	1-(6-chloro-3-pyridazinyl)ethanone; 1-(6-chloropyridazin-3-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(6-chloropyridazin-3-yl)ethanone
Description:	3-Acetyl-6-chloropyridazine (CAS# 214701-31-2) is a useful research chemical.
Molecular Weight:	156.57
Molecular Formula:	C6H5ClN2O
Canonical SMILES:	CC(=O)C1=NN=C(C=C1)Cl
InChI:	InChI=1S/C6H5ClN2O/c1-4(10)5-2-3-6(7)9-8-5/h2-3H,1H3
InChI Key:	FSVMLIDYMQRPDD-UHFFFAOYSA-N
Boiling Point:	343.874 °C at 760 mmHg
Density:	1.312 g/cm³
LogP:	1.33260

Publication Number	Title	Priority Date
WO-2021133831-A1	Compositions for use for the inhibition of dihydroorotate dehydrogenase	20191226
CN-109879814-A	A kind of ligand and its complex and preparation method and application	20190220
US-2020399268-A1	Pharmaceutical 6,5 Heterobicyclic Ring Derivatives	20180216
US-2017267717-A1	Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer	20140824
WO-2015161011-A1	Benzamide cgrp receptor antagonists	20140417

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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0090405
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8