(4-Methylphenyl)-1-(2H)-phthalazinone - CAS 51334-85-1

Catalog:	BB027411
Product Name:	(4-Methylphenyl)-1-(2H)-phthalazinone
CAS:	51334-85-1
Synonyms:	4-(4-methylphenyl)-2H-phthalazin-1-one

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IUPAC Name:	4-(4-methylphenyl)-2H-phthalazin-1-one
Description:	(4-Methylphenyl)-1-(2H)-phthalazinone (CAS# 51334-85-1) is a useful research chemical.
Molecular Weight:	236.27
Molecular Formula:	C15H12N2O
Canonical SMILES:	CC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32
InChI:	InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChI Key:	QBGWUKDMIGJTDU-UHFFFAOYSA-N
MDL:	MFCD00222976
LogP:	2.89850

Publication Number	Title	Priority Date
EP-3252049-A1	Phthalazinones and isoquinolinones as rock inhibitors	20130118
EP-3252050-A1	Phthalazinones and isoquinolinones as rock inhibitors	20130118
EP-2562294-A2	Plating bath and method	20110822
JP-2013049922-A	Plating bath and method	20110822
JP-6186118-B2	Plating bath and method	20110822

PMID	Publication Date	Title	Journal
16545955	20060515	New 4-(4-methyl-phenyl)phthalazin-1(2H)-one derivatives and their effects on alpha1-receptors	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	356
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.094963011
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3