6-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one - CAS 36725-37-8

Catalog:	BB023047
Product Name:	6-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one
CAS:	36725-37-8
Synonyms:	3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
Description:	6-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one (CAS# 36725-37-8) is a useful research chemical.
Molecular Weight:	253.10
Molecular Formula:	C10H9BrN2O
Canonical SMILES:	C1CC(=O)NN=C1C2=CC=C(C=C2)Br
InChI:	InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChI Key:	CDDNLMGOLYMTSF-UHFFFAOYSA-N
Density:	1.62 g/cm³
Appearance:	Off-white crystalline
MDL:	MFCD00203490
LogP:	1.82760

Publication Number	Title	Priority Date
AU-2008221718-A1	Novel phenylpropionic acid derivatives as peroxisome proliferator-activated gamma receptor modulators, method of the same, and pharmaceutical composition comprising the same	20070307
KR-20080082541-A	Method for preparing novel phenylpropanoic acid derivatives that modulate peroxysome proliferator-activated gamma receptor and pharmaceutical use	20070307
US-2010063041-A1	Novel phenylpropionic acid derivatives as peroxisome proliferator-activated gamma receptor modulators, method of the same, and pharmaceutical composition comprising the same	20070307
WO-2008108602-A1	Novel phenylpropionic acid derivatives as peroxisome proliferator-activated gamma receptor modulators, method of the same, and pharmaceutical composition comprising the same	20070307
AU-2006276890-A1	Fused bicycloheterocycle substituted quinuclidine derivatives	20050615

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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.98983
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.98983
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6