Methyl 2-(4-Bromo-3-indolyl)-2-oxoacetate - CAS 425640-16-0

Catalog:	BB025174
Product Name:	Methyl 2-(4-Bromo-3-indolyl)-2-oxoacetate
CAS:	425640-16-0
Synonyms:	2-(4-bromo-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(4-Bromo-3-indolyl)-2-oxoacetate (CAS# 425640-16-0 ) is a useful research chemical.
Molecular Weight:	282.09
Molecular Formula:	C11H8BrNO3
Canonical SMILES:	COC(=O)C(=O)C1=CNC2=C1C(=CC=C2)Br
InChI:	InChI=1S/C11H8BrNO3/c1-16-11(15)10(14)6-5-13-8-4-2-3-7(12)9(6)8/h2-5,13H,1H3
InChI Key:	UEROVFARAMCZGZ-UHFFFAOYSA-N
LogP:	2.28610

Publication Number	Title	Priority Date
EP-2794607-B1	Derivatives of aza adamantane and uses thereof	20111222
EP-2800748-B1	Cyclic amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase and uses thereof	20111222
US-2015141650-A1	Derivatives of aza adamantane and uses thereof	20111222
US-2015158860-A1	Cyclic amide derivatives as inhibitors of 11 - beta - hydroxysteroid dehydrogenase and uses thereof	20111222
US-9303016-B2	Derivatives of aza adamantane and uses thereof	20111222

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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