Methyl 2-(5-Bromo-3-indolyl)-2-oxoacetate - CAS 163160-56-3

Catalog:	BB011952
Product Name:	Methyl 2-(5-Bromo-3-indolyl)-2-oxoacetate
CAS:	163160-56-3
Synonyms:	2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(5-Bromo-3-indolyl)-2-oxoacetate (CAS# 163160-56-3 ) is a useful research chemical.
Molecular Weight:	282.09
Molecular Formula:	C11H8BrNO3
Canonical SMILES:	COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C11H8BrNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key:	DHPHYKMALRMWJY-UHFFFAOYSA-N
LogP:	2.28610

Publication Number	Title	Priority Date
EP-2548864-A1	Novel bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722
EP-2548864-B1	Novel bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722
US-2014309272-A1	Bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722
US-9676715-B2	Bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722
EP-2303890-A2	Phosphatidylinositol 3 kinase inhibitors	20080619

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Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.96876
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	280.96876
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5