Ethyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate - CAS 127561-11-9

Name: Ethyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006811
Product Name:	Ethyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate
CAS:	127561-11-9
Synonyms:	2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate
Description:	Ethyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate (CAS# 127561-11-9 ) is a useful research chemical.
Molecular Weight:	235.21
Molecular Formula:	C12H10FNO3
Canonical SMILES:	CCOC(=O)C(=O)C1=CNC2=C1C=C(C=C2)F
InChI:	InChI=1S/C12H10FNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3
InChI Key:	JLGFKONPMDVGBH-UHFFFAOYSA-N
LogP:	2.05280

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Publication Number	Title	Priority Date
AU-2010333082-A1	3-(indolyl)-or 3-(azaindolyl)- 4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarzinoma	20091218
AU-2010333082-B2	3-(indolyl)-or 3-(azaindolyl)- 4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarzinoma	20091218
AU-2010333083-A1	3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment	20091218
AU-2010333083-B2	3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment	20091218
CA-2782555-A1	3-(indolyl)-or 3-(azaindolyl)-4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarcinoma	20091218

Complexity:	321
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.06447134
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.06447134
Rotatable Bond Count:	4
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2