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2-Chloro-1H-purin-6(7H)-one

2-Chloro-1H-purin-6(7H)-one - CAS 13368-14-4

Catalog:	BB007793
Product Name:	2-Chloro-1H-purin-6(7H)-one
CAS:	13368-14-4
Synonyms:	2-chloro-1,7-dihydropurin-6-one; 2-chloro-1,7-dihydropurin-6-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-1,7-dihydropurin-6-one
Description:	2-Chloro-1H-purin-6(7H)-one (CAS# 13368-14-4) is a useful research chemical.
Molecular Weight:	170.56
Molecular Formula:	C5H3ClN4O
Canonical SMILES:	C1=NC2=C(N1)C(=O)NC(=N2)Cl
InChI:	InChI=1S/C5H3ClN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChI Key:	WIEATFFSFYPBQD-UHFFFAOYSA-N
Boiling Point:	525.2 °C at 760 mmHg
Density:	2.09 g/cm³
LogP:	0.71190

Publication Number	Title	Priority Date
CN-110402249-A	Extracellular nucleotides enzyme inhibitor and its application method	20161222
CN-110234656-A	Extracellular nucleotides enzyme inhibitor and its application method	20160909
CN-104447746-A	AMPK activating compound and its use	20130918
CN-108703970-A	A kind of compound and application thereof of activation AMPK	20130918
US-2014303112-A1	Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK)	20130409

PMID	Publication Date	Title	Journal
14565413	20030501	A new synthesis of 9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)guanine (AraF-G)	Nucleosides, nucleotides & nucleic acids

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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.9995384
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.9995384
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6