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Ethyl 3-(6-Bromo-3-pyridinyl)-3-oxopropanoate

Ethyl 3-(6-Bromo-3-pyridinyl)-3-oxopropanoate - CAS 916791-37-2

Catalog:	BB040310
Product Name:	Ethyl 3-(6-Bromo-3-pyridinyl)-3-oxopropanoate
CAS:	916791-37-2
Synonyms:	3-(6-bromo-3-pyridinyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(6-bromopyridin-3-yl)-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(6-bromopyridin-3-yl)-3-oxopropanoate
Description:	Ethyl 3-(6-Bromo-3-pyridinyl)-3-oxopropanoate (CAS# 916791-37-2 ) is a useful research chemical.
Molecular Weight:	272.10
Molecular Formula:	C10H10BrNO3
Canonical SMILES:	CCOC(=O)CC(=O)C1=CN=C(C=C1)Br
InChI:	InChI=1S/C10H10BrNO3/c1-2-15-10(14)5-8(13)7-3-4-9(11)12-6-7/h3-4,6H,2,5H2,1H3
InChI Key:	NBYNIFKREWJHNB-UHFFFAOYSA-N
LogP:	1.98000

Publication Number	Title	Priority Date
EP-2203453-A1	Pyrazolo[5, 1-c] [1,2,4]triazines, methods for preparation and use thereof	20070920
JP-2010540451-A	Pyrazolo [5,1-c] [1,2,4] triazine, its preparation and use	20070920
US-2009082354-A1	Pyrazolo[5, 1-c] [1,2,4] triazines, methods for preparation and use thereof	20070920
WO-2009039387-A1	Pyrazolo[5, 1-c] [1,2,4] triazines, methods for preparation and use thereof	20070920

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Carbonyl Compounds

[89908-23-6]
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(3-Phenyl-1H-pyrazol-1-yl)acetic acid
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[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.98441
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	270.98441
Rotatable Bond Count:	5
Topological Polar Surface Area:	56.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9