Methyl 2-(7-Fluoro-3-indolyl)-2-oxoacetate - CAS 425638-75-1

Catalog:	BB025169
Product Name:	Methyl 2-(7-Fluoro-3-indolyl)-2-oxoacetate
CAS:	425638-75-1
Synonyms:	2-(7-fluoro-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(7-fluoro-1H-indol-3-yl)-2-oxoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(7-fluoro-1H-indol-3-yl)-2-oxoacetate
Description:	Methyl 2-(7-Fluoro-3-indolyl)-2-oxoacetate (CAS# 425638-75-1 ) is a useful research chemical.
Molecular Weight:	221.18
Molecular Formula:	C11H8FNO3
Canonical SMILES:	COC(=O)C(=O)C1=CNC2=C1C=CC=C2F
InChI:	InChI=1S/C11H8FNO3/c1-16-11(15)10(14)7-5-13-9-6(7)3-2-4-8(9)12/h2-5,13H,1H3
InChI Key:	YIMCVNGEHKSRTB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CZ-307144-B6	An indolylmaleimide compound, a process for its preparation, its use as a medicament, and a pharmaceutical composition comprising the compound	20001107
EP-1337527-A1	Indolylmaleimide derivatives as protein kinase c inhibitors	20001107
HU-0301651-A2	Indolylmaleimide derivatives, pharmaceutical compositions containing them, process for producing them and their use	20001107
PT-1337527-E	DERIVATIVES OF INDOLILMALEIMIDA AS KINASE PROTEIN INHIBITORS	20001107
SK-287919-B6	Indolylmaleimide derivatives;	20001107

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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:	221.04882128
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.04882128
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9