Ethyl 4,6-Dichloropyrimidine-5-carboxylate - CAS 87600-72-4

Catalog:	BB038541
Product Name:	Ethyl 4,6-Dichloropyrimidine-5-carboxylate
CAS:	87600-72-4
Synonyms:	4,6-dichloro-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4,6-dichloropyrimidine-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4,6-dichloropyrimidine-5-carboxylate
Description:	Ethyl 4,6-Dichloropyrimidine-5-carboxylate (CAS# 87600-72-4) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C7H6Cl2N2O2
Canonical SMILES:	CCOC(=O)C1=C(N=CN=C1Cl)Cl
InChI:	InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)4-5(8)10-3-11-6(4)9/h3H,2H2,1H3
InChI Key:	JWBDDMCGDUJSTL-UHFFFAOYSA-N
Boiling Point:	312.8 °C at 760 mmHg
Density:	1.433 g/cm³
MDL:	MFCD10698803
LogP:	1.96010

Publication Number	Title	Priority Date
US-2018243298-A1	Trpv3 modulators	20150402
WO-2016160938-A1	N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamides as trpv3 modulators	20150402
TW-201639845-A	Novel heteroaryl and heterocyclic compounds, compositions and methods thereof	20150129
WO-2016119707-A1	Novel heteroaryl and heterocycle compounds, compositions and methods	20150129
AU-2015320142-B2	Novel imidazopyridazine compounds and their use	20140924

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Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.9806328
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.9806328
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3