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6-(Trifluoromethyl)-2,3,4,5-tetrahydropyridazin-3-one

6-(Trifluoromethyl)-2,3,4,5-tetrahydropyridazin-3-one - CAS 628332-15-0

Catalog:	BB031833
Product Name:	6-(Trifluoromethyl)-2,3,4,5-tetrahydropyridazin-3-one
CAS:	628332-15-0
Synonyms:	3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one; 3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
Description:	6-(Trifluoromethyl)-2,3,4,5-tetrahydropyridazin-3-one (CAS# 628332-15-0) is a useful research chemical.
Molecular Weight:	166.10
Molecular Formula:	C5H5F3N2O
Canonical SMILES:	C1CC(=O)NN=C1C(F)(F)F
InChI:	InChI=1S/C5H5F3N2O/c6-5(7,8)3-1-2-4(11)10-9-3/h1-2H2,(H,10,11)
InChI Key:	IJGACGPBDXVCGJ-UHFFFAOYSA-N
LogP:	0.52620

Publication Number	Title	Priority Date
CA-2721098-C	Oxo-heterocyclic substituted carboxylic acid derivates and the use thereof	20080414
EP-2268625-A1	Oxo-heterocyclic substituted carboxylic acid derivates and the use thereof	20080414
EP-2268625-B1	Oxo-heterocyclic substituted carboxylic acid derivates and the use thereof	20080414
ES-2384309-T3	Oxo-heterocyclic substituted carboxylic acid derivatives and their use	20080414
JP-2011517688-A	Oxoheterocyclic substituted carboxylic acid derivatives and their use	20080414

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
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[17746-05-3]
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[55441-25-3]
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[1006443-01-1]
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Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03539727
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.03539727
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4