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5-Chloroquinazoline-2,4(1H,3H)-dione

5-Chloroquinazoline-2,4(1H,3H)-dione - CAS 78754-81-1

Catalog:	BB036237
Product Name:	5-Chloroquinazoline-2,4(1H,3H)-dione
CAS:	78754-81-1
Synonyms:	5-chloro-1H-quinazoline-2,4-dione; 5-chloro-1H-quinazoline-2,4-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-1H-quinazoline-2,4-dione
Description:	5-Chloroquinazoline-2,4(1H,3H)-dione (CAS# 78754-81-1) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=O)NC(=O)N2
InChI:	InChI=1S/C8H5ClN2O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)
InChI Key:	ASCKCOHWDCSDCN-UHFFFAOYSA-N
Density:	1.475 g/cm³
LogP:	0.86980

Publication Number	Title	Priority Date
CN-106699824-A	Preparing method for quinazoline nucleoside derivative	20161221
US-10196383-B2	Substituted quinazoline compounds and preparation and uses thereof	20150717
US-2018215737-A1	Substituted quinazoline compounds and preparation and uses thereof	20150717
EP-3130597-A1	Oligonucleotide having non-natural nucleotide at 5'-terminal thereof	20140303
JP-6586078-B2	Oligonucleotides having unnatural nucleotides at the 5 'end	20140303

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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0039551
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0039551
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1