Methyl 2-(5-Chloro-3-indolyl)-2-oxoacetate - CAS 163160-55-2

Catalog:	BB011951
Product Name:	Methyl 2-(5-Chloro-3-indolyl)-2-oxoacetate
CAS:	163160-55-2
Synonyms:	2-(5-chloro-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(5-Chloro-3-indolyl)-2-oxoacetate (CAS# 163160-55-2 ) is a useful research chemical.
Molecular Weight:	237.64
Molecular Formula:	C11H8ClNO3
Canonical SMILES:	COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key:	YLDFUXIOPJEOOD-UHFFFAOYSA-N
LogP:	2.17700

Publication Number	Title	Priority Date
CN-104744484-A	3-furan[2,3-b] pyridine-4-indol maleimide derivatives as well as preparation and application thereof	20150325
US-2003055097-A1	Indazolyl-substituted pyrroline compounds as kinase inhibitors	20001208
US-2004259928-A1	Indazolyl-substituted pyrroline compounds as kinase inhibitors	20001208
US-2005004202-A1	Indazolyl-substituted pyrroline compounds as kinase inhibitors	20001208
US-2008096949-A1	Indazolyl-substituted pyrroline compounds as kinase inhibitors	20001208

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[1018141-88-2]
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[1016519-61-1]
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[438616-66-1]
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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:	237.0192708
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.0192708
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4