Methyl 2-(6-Bromo-3-indolyl)-2-oxoacetate - CAS 220407-33-0

Catalog:	BB017314
Product Name:	Methyl 2-(6-Bromo-3-indolyl)-2-oxoacetate
CAS:	220407-33-0
Synonyms:	2-(6-bromo-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(6-bromo-1H-indol-3-yl)-2-oxoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(6-bromo-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(6-Bromo-3-indolyl)-2-oxoacetate (CAS# 220407-33-0) 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)8-5-13-9-4-6(12)2-3-7(8)9/h2-5,13H,1H3
InChI Key:	ZZDRZAUAXGCWBK-UHFFFAOYSA-N
LogP:	2.28610

Publication Number	Title	Priority Date
DE-60103171-T2	METHOD AND LINKS FOR TREATING PROLIFERATIVE DISEASES	20000929
EP-1325011-A2	Methods and compounds for treating proliferative diseases	20000929
EP-1325011-B1	Methods and compounds for treating proliferative diseases	20000929
ES-2220811-T3	PROCEDURE AND COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES.	20000929
US-2004048915-A1	Methods and compounds for treating proliferative diseases	20000929

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Carbonyl Compounds

[89908-23-6]
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[253429-30-0]
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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