Ethyl 2-(4,6-Dichloro-5-pyrimidyl)acetate - CAS 1095822-21-1

Catalog:	BB002514
Product Name:	Ethyl 2-(4,6-Dichloro-5-pyrimidyl)acetate
CAS:	1095822-21-1
Synonyms:	2-(4,6-dichloro-5-pyrimidinyl)acetic acid ethyl ester; ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate
Description:	Ethyl 2-(4,6-Dichloro-5-pyrimidyl)acetate (CAS# 1095822-21-1 ) is a useful research chemical.
Molecular Weight:	235.07
Molecular Formula:	C8H8Cl2N2O2
Canonical SMILES:	CCOC(=O)CC1=C(N=CN=C1Cl)Cl
InChI:	InChI=1S/C8H8Cl2N2O2/c1-2-14-6(13)3-5-7(9)11-4-12-8(5)10/h4H,2-3H2,1H3
InChI Key:	ZMNVHLAMRJXIJK-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.88900

Publication Number	Title	Priority Date
AU-2009314324-A1	AKT and p70 S6 kinase inhibitors	20081111
AU-2009314324-B2	AKT and p70 S6 kinase inhibitors	20081111
CA-2743019-A1	Akt and p70 s6 kinase inhibitors	20081111
EP-2358710-B1	Akt and p70 s6 kinase inhibitors	20081111
JP-2012508274-A	AKT and P70S6 kinase inhibitors	20081111

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Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.9962829
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.9962829
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3