4,6-Dihydroxy-5-chloropyrimidine - CAS 1193-56-2

Catalog:	BB004481
Product Name:	4,6-Dihydroxy-5-chloropyrimidine
CAS:	1193-56-2
Synonyms:	5-chloro-4-hydroxy-1H-pyrimidin-6-one; 5-chloro-4-hydroxy-1H-pyrimidin-6-one

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-4-hydroxy-1H-pyrimidin-6-one
Description:	4,6-Dihydroxy-5-chloropyrimidine (CAS# 1193-56-2) is a useful research chemical compound.
Molecular Weight:	146.53
Molecular Formula:	C4H3ClN2O2
Canonical SMILES:	C1=NC(=C(C(=O)N1)Cl)O
InChI:	InChI=1S/C4H3ClN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChI Key:	VZKFMOMJNOUARI-UHFFFAOYSA-N
Boiling Point:	307.7 °C at 760 mmHg
Density:	1.79 g/cm³
LogP:	0.12890

Publication Number	Title	Priority Date
CN-111440123-A	Synthetic method of 4,5, 6-trichloropyrimidine	20200527
EP-2128141-A1	Process for producing trichloropyrimidine compound	20070328
JP-2008266316-A	Method for producing 4,5,6-trichloropyrimidines	20070328
US-2010160630-A1	Process for producing trichloropyrimidine compound	20070328
US-8158787-B2	Process for producing trichloropyrimidine compound	20070328

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.988305
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	145.988305
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0