Ethyl 2,4-Dichloropyrimidine-5-acetate - CAS 917024-99-8

Catalog:	BB040323
Product Name:	Ethyl 2,4-Dichloropyrimidine-5-acetate
CAS:	917024-99-8
Synonyms:	2-(2,4-dichloro-5-pyrimidinyl)acetic acid ethyl ester; ethyl 2-(2,4-dichloropyrimidin-5-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(2,4-dichloropyrimidin-5-yl)acetate
Description:	Ethyl 2,4-Dichloropyrimidine-5-acetate (CAS# 917024-99-8 ) is a useful research chemical.
Molecular Weight:	235.07
Molecular Formula:	C8H8Cl2N2O2
Canonical SMILES:	CCOC(=O)CC1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C8H8Cl2N2O2/c1-2-14-6(13)3-5-4-11-8(10)12-7(5)9/h4H,2-3H2,1H3
InChI Key:	WCIGLYJCLFKXQG-UHFFFAOYSA-N
Boiling Point:	321.7±27.0 °C (760 mmHg)
Density:	1.390±0.06 g/cm³(20 °C , 760mmH g)
LogP:	1.88900

Publication Number	Title	Priority Date
US-2020048242-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180809
US-11053235-B2	Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases	20180809
WO-2020001448-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626
AU-2019296117-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases	20180626
CA-3099605-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626

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Complexity:	204
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