5-Bromo-6-methylphthalide - CAS 1374574-10-3

Catalog:	BB008572
Product Name:	5-Bromo-6-methylphthalide
CAS:	1374574-10-3
Synonyms:	5-bromo-6-methyl-3H-isobenzofuran-1-one; 5-bromo-6-methyl-3H-2-benzofuran-1-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-6-methyl-3H-2-benzofuran-1-one
Description:	5-Bromo-6-methylphthalide (CAS# 1374574-10-3 ) is a useful research chemical.
Molecular Weight:	227.05
Molecular Formula:	C9H7BrO2
Canonical SMILES:	CC1=C(C=C2COC(=O)C2=C1)Br
InChI:	InChI=1S/C9H7BrO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3H,4H2,1H3
InChI Key:	IRUDYCTYMRMENS-UHFFFAOYSA-N
LogP:	2.42790

Publication Number	Title	Priority Date
EP-2632464-A1	Inhibitors of the renal outer medullary potassium channel	20101029
EP-2632464-B1	Inhibitors of the renal outer medullary potassium channel	20101029
US-2013217680-A1	Inhibitors of the Renal Outer Medullary Potassium Channel	20101029
US-9056859-B2	Inhibitors of the renal outer medullary potassium channel	20101029
WO-2012058134-A1	Inhibitors of the renal outer medullary potassium channel	20101029

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.96294
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.96294
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4